Protein Information

General Information of the Protein

Protein ID	PT01255
Protein Name	Aromatase
Secondarily Protein Name	CYPXIX Cytochrome P-450AROM Cytochrome P450 19A1 Estrogen synthase
Gene Name	CYP19A1
Secondarily Gene Name	ARO1 CYAR CYP19
Sequence	MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH Show/Hide
Organism	Homo sapiens, Human
Protein Classification	Enzyme > Cytochrome P450 > Cytochrome P450 family 19 > Cytochrome P450 family 19A > Cytochrome P450 19A1
Function	A cytochrome P450 monooxygenase that catalyzes the conversion of C19 androgens, androst-4-ene-3,17-dione (androstenedione) and testosterone to the C18 estrogens, estrone and estradiol, respectively (PubMed:27702664, PubMed:2848247). Catalyzes three successive oxidations of C19 androgens: two conventional oxidations at C19 yielding 19-hydroxy and 19-oxo/19-aldehyde derivatives, followed by a third oxidative aromatization step that involves C1-beta hydrogen abstraction combined with cleavage of the C10-C19 bond to yield a phenolic A ring and formic acid (PubMed:20385561). Alternatively, the third oxidative reaction yields a 19-norsteroid and formic acid. Converts dihydrotestosterone to delta1,10-dehydro 19-nordihydrotestosterone and may play a role in homeostasis of this potent androgen (PubMed:22773874). Also displays 2-hydroxylase activity toward estrone (PubMed:22773874). Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (CPR; NADPH-ferrihemoprotein reductase) (PubMed:20385561, PubMed:22773874). Show/Hide
Uniprot ID	Primary ID: P11511 Secondarily ID: Q16731 Q3B764 Q58FA0 Q8IYJ7 Show/Hide
Ensembl ID	ENSG00000137869
HGNC ID	HGNC:2594
Subcellular Location	Endoplasmic reticulum membrane Microsome membrane

Map of Molecular Bioactivity Related to the Protein

Map of Molecular Bioactivity Related to the Protein Protein Cell Line Compound Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity

Table of Molecular Bioactivities Related to the Protein

Cell Line ID: CL000208 , JEG-3

Cell Line Info

Compound ID	Compound Name	Compound Formula
CP0329816 Compound Info	1-(imidazol-1-ylmethyl)-3-pent-2-ynoxyxanthen-9-one Show/Hide	C22H18N2O3	1
1	IC50 = 0.01 nM Bioactivity Info	TI LI LO TS
CP0351698 Compound Info	3-(imidazol-1-ylmethyl)-6-pent-2-ynoxyxanthen-9-one Show/Hide	C22H18N2O3	1
1	IC50 = 0.01 nM Bioactivity Info	TI LI LO TS
CP0452027 Compound Info	2-chloro-4-(((6-cyanobiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate Show/Hide	C22H17ClN6O3S	1
1	IC50 = 0.015 nM Bioactivity Info	TI LI LO TS
CP0472239 Compound Info	4-(((6-cyano-4'-methoxybiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate Show/Hide	C23H20N6O4S	1
1	IC50 = 0.015 nM Bioactivity Info	TI LI LO TS
CP0404442 Compound Info	2-bromo-4-(((6-cyanobiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate Show/Hide	C22H17BrN6O3S	1
1	IC50 = 0.018 nM Bioactivity Info	TI LI LO TS
CP0404441 Compound Info	5'-((4-bromobenzyl)(4H-1,2,4-triazol-4-yl)amino)-2'-cyanobiphenyl-4-yl sulfamate Show/Hide	C22H17BrN6O3S	1
1	IC50 = 0.05 nM Bioactivity Info	TI LI LO TS
CP0580118 Compound Info	4-[(6-but-2-ynoxy-1-benzofuran-2-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Show/Hide	C22H16N4O2	1
1	IC50 = 0.09 nM Bioactivity Info	TI LI LO TS
CP0524325 Compound Info	2-(5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hydroxybiphenyl-3-yl)-2-methylpropanenitrile Show/Hide	C19H17ClN4O	1
1	IC50 = 0.1 nM Bioactivity Info	TI LI LO TS
CP0381220 Compound Info	5'-(benzyl(4H-1,2,4-triazol-4-yl)amino)-2'-cyanobiphenyl-4-yl sulfamate Show/Hide	C22H18N6O3S	1
1	IC50 = 0.1 nM Bioactivity Info	TI LI LO TS
CP0570061 Compound Info	4-[(6-methoxy-1-benzofuran-2-yl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile Show/Hide	C19H14N4O2	1
1	IC50 = 0.11 nM Bioactivity Info	TI LI LO TS
CP0188252 Compound Info	3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BIPHENYL-4-YL SULFAMATE Show/Hide	C16H12ClN5O3S	2
1	IC50 = 0.12 nM Bioactivity Info	TI LI LO TS
2	IC50 = 0.5 nM Bioactivity Info	TI LI LO TS
CP0449272 Compound Info	5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hydroxybiphenyl-2-carbonitrile Show/Hide	C16H11ClN4O	1
1	IC50 = 0.15 nM Bioactivity Info	TI LI LO TS
CP0378660 Compound Info	4-(((6-cyanobiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)-2-fluorophenyl sulfamate Show/Hide	C22H17FN6O3S	1
1	IC50 = 0.15 nM Bioactivity Info	TI LI LO TS
CP0075689 Compound Info	1-[(4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)methyl]-1H-1,2,4-triazole Show/Hide	C18H14FN3O2	1
1	IC50 = 0.15 nM Bioactivity Info	TI LI LO TS
CP0496918 Compound Info	4-{[(4-chloro-3-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H12ClN5O	1
1	IC50 = 0.18 nM Bioactivity Info	TI LI LO TS
CP0463902 Compound Info	5-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-2-carbonitrile Show/Hide	C16H12N4	1
1	IC50 = 0.2 nM Bioactivity Info	TI LI LO TS
CP0526901 Compound Info	5-((1H-1,2,4-triazol-1-yl)methyl)-4'-hydroxybiphenyl-2-carbonitrile Show/Hide	C16H12N4O	1
1	IC50 = 0.2 nM Bioactivity Info	TI LI LO TS
CP0454391 Compound Info	4-(((6-cyanobiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate Show/Hide	C22H18N6O3S	1
1	IC50 = 0.21 nM Bioactivity Info	TI LI LO TS
CP0477271 Compound Info	5-((1H-1,2,4-triazol-1-yl)methyl)-4'-chloro-3'-hydroxybiphenyl-2-carbonitrile Show/Hide	C16H11ClN4O	1
1	IC50 = 0.22 nM Bioactivity Info	TI LI LO TS
CP0499344 Compound Info	5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chlorobiphenyl-2-carbonitrile Show/Hide	C16H11ClN4	1
1	IC50 = 0.22 nM Bioactivity Info	TI LI LO TS
CP0429110 Compound Info	[1-bromo-6-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]naphthalen-2-yl] sulfamate Show/Hide	C20H15BrN6O3S	1
1	IC50 = 0.25 nM Bioactivity Info	TI LI LO TS
CP0233111 Compound Info	4-[2-(3-chloro-4-hydroxyphenyl)sulfanylethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Show/Hide	C17H14ClN5OS	1
1	IC50 = 0.26 nM Bioactivity Info	TI LI LO TS
CP0395001 Compound Info	4-[2-(4-hydroxyphenyl)sulfanylethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Show/Hide	C17H15N5OS	1
1	IC50 = 0.28 nM Bioactivity Info	TI LI LO TS
CP0374004 Compound Info	3'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-5'-(2-cyanopropan-2-yl)biphenyl-4-yl sulfamate Show/Hide	C19H18ClN5O3S	1
1	IC50 = 0.3 nM Bioactivity Info	TI LI LO TS
CP0465602 Compound Info	4-{[(4-hydroxy-3-iodophenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H12IN5O	1
1	IC50 = 0.33 nM Bioactivity Info	TI LI LO TS
CP0390030 Compound Info	5'-((1H-1,2,4-triazol-1-yl)methyl)-4-chloro-2'-cyanobiphenyl-3-yl sulfamate Show/Hide	C16H12ClN5O3S	1
1	IC50 = 0.35 nM Bioactivity Info	TI LI LO TS
CP0571011 Compound Info	2-[(4-fluorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-benzofuran-6-ol Show/Hide	C17H12FN3O2	1
1	IC50 = 0.39 nM Bioactivity Info	TI LI LO TS
CP0475216 Compound Info	4-({[3-hydroxy-4-(trifluoromethyl)phenyl]methyl}(4H-1,2,4-triazol-4-yl)amino)benzonitrile Show/Hide	C17H12F3N5O	1
1	IC50 = 0.4 nM Bioactivity Info	TI LI LO TS
CP0434077 Compound Info	[4-[2-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]ethylsulfanyl]phenyl] sulfamate Show/Hide	C17H16N6O3S2	1
1	IC50 = 0.42 nM Bioactivity Info	TI LI LO TS
CP0380336 Compound Info	[2-chloro-4-[2-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]ethylsulfanyl]phenyl] sulfamate Show/Hide	C17H15ClN6O3S2	1
1	IC50 = 0.45 nM Bioactivity Info	TI LI LO TS
CP0576135 Compound Info	1-[(4-chlorophenyl)-(6-ethoxy-1-benzofuran-2-yl)methyl]-1,2,4-triazole Show/Hide	C19H16ClN3O2	1
1	IC50 = 0.46 nM Bioactivity Info	TI LI LO TS
CP0404443 Compound Info	4-(((6-cyano-4'-fluorobiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate Show/Hide	C22H17FN6O3S	1
1	IC50 = 0.47 nM Bioactivity Info	TI LI LO TS
CP0167002 Compound Info	1-[(4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)methyl]-1H-1,2,4-triazole Show/Hide	C18H14ClN3O2	1
1	IC50 = 0.47 nM Bioactivity Info	TI LI LO TS
CP0395993 Compound Info	4-{[(4-bromophenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H12BrN5	1
1	IC50 = 0.5 nM Bioactivity Info	TI LI LO TS
CP0406541 Compound Info	4-{[(4-bromo-3-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H12BrN5O	1
1	IC50 = 0.5 nM Bioactivity Info	TI LI LO TS
CP0375647 Compound Info	5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobiphenyl-4-yl dimethylsulfamate Show/Hide	C18H17N5O3S	1
1	IC50 = 0.5 nM Bioactivity Info	TI LI LO TS
CP0502665 Compound Info	2-(5-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-3-yl)-2-methylpropanenitrile Show/Hide	C19H18N4	1
1	IC50 = 0.5 nM Bioactivity Info	TI LI LO TS
CP0496919 Compound Info	4-{[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C17H14ClN5O2	1
1	IC50 = 0.51 nM Bioactivity Info	TI LI LO TS
CP0374817 Compound Info	[4-[3-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]propylsulfanyl]phenyl] sulfamate Show/Hide	C18H18N6O3S2	1
1	IC50 = 0.51 nM Bioactivity Info	TI LI LO TS
CP0570060 Compound Info	1-[(4-fluorophenyl)-(6-pent-2-ynoxy-1-benzofuran-2-yl)methyl]-1,2,4-triazole Show/Hide	C22H18FN3O2	1
1	IC50 = 0.51 nM Bioactivity Info	TI LI LO TS
CP0571095 Compound Info	1-[(6-but-2-ynoxy-1-benzofuran-2-yl)-(4-chlorophenyl)methyl]-1,2,4-triazole Show/Hide	C21H16ClN3O2	1
1	IC50 = 0.53 nM Bioactivity Info	TI LI LO TS
CP0576871 Compound Info	4-[(6-Hydroxybenzofuran-2-yl)-[1,2,4]triazol-1-ylmethyl]benzonitrile Show/Hide	C18H12N4O2	1
1	IC50 = 0.56 nM Bioactivity Info	TI LI LO TS
CP0406542 Compound Info	4-{[(4-fluoro-3-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H12FN5O	1
1	IC50 = 0.6 nM Bioactivity Info	TI LI LO TS
CP0540281 Compound Info	4-[(R)-(3-bromo-4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile Show/Hide	C16H11BrN4O	1
1	IC50 = 0.6 nM Bioactivity Info	TI LI LO TS
CP0055110 Compound Info	4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile Show/Hide	C17H11N5	2
1	IC50 = 0.7 nM Bioactivity Info	TI LI LO TS
2	IC50 = 0.89 nM Bioactivity Info	TI LI LO TS
CP0569987 Compound Info	4-[(6-pent-2-ynoxy-1-benzofuran-2-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Show/Hide	C23H18N4O2	1
1	IC50 = 0.72 nM Bioactivity Info	TI LI LO TS
CP0380338 Compound Info	[4-[5-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]pentylsulfanyl]phenyl] sulfamate Show/Hide	C20H22N6O3S2	1
1	IC50 = 0.73 nM Bioactivity Info	TI LI LO TS
CP0395886 Compound Info	4-(((4',6-dicyanobiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate Show/Hide	C23H17N7O3S	1
1	IC50 = 0.75 nM Bioactivity Info	TI LI LO TS
CP0445734 Compound Info	(5-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}-2-fluorophenyl) sulfamate Show/Hide	C16H13FN6O3S	1
1	IC50 = 0.77 nM Bioactivity Info	TI LI LO TS
CP0351697 Compound Info	4-(imidazol-1-ylmethyl)-2-pent-2-ynoxyxanthen-9-one Show/Hide	C22H18N2O3	1
1	IC50 = 0.77 nM Bioactivity Info	TI LI LO TS
CP0577489 Compound Info	2-[(4-Chlorophenyl)-[1,2,4]triazol-1-ylmethyl]benzofuran-6-ol Show/Hide	C17H12ClN3O2	1
1	IC50 = 0.79 nM Bioactivity Info	TI LI LO TS
CP0374009 Compound Info	6-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hydroxybiphenyl-3-carbonitrile Show/Hide	C16H11ClN4O	1
1	IC50 = 0.8 nM Bioactivity Info	TI LI LO TS
CP0259310 Compound Info	(2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate Show/Hide	C16H13BrN6O3S	1
1	IC50 = 0.82 nM Bioactivity Info	TI LI LO TS
CP0480297 Compound Info	4-({[4-hydroxy-3-(trifluoromethyl)phenyl]methyl}(4H-1,2,4-triazol-4-yl)amino)benzonitrile Show/Hide	C17H12F3N5O	1
1	IC50 = 0.88 nM Bioactivity Info	TI LI LO TS
CP0465607 Compound Info	(2-chloro-5-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate Show/Hide	C16H13ClN6O3S	1
1	IC50 = 0.92 nM Bioactivity Info	TI LI LO TS
CP0571010 Compound Info	1-[(4-chlorophenyl)-(6-prop-2-ynoxy-1-benzofuran-2-yl)methyl]-1,2,4-triazole Show/Hide	C20H14ClN3O2	1
1	IC50 = 1.03 nM Bioactivity Info	TI LI LO TS
CP0496921 Compound Info	4-{[(3-bromo-4-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H12BrN5O	1
1	IC50 = 1.1 nM Bioactivity Info	TI LI LO TS
CP0465601 Compound Info	4-{[(3-hydroxy-4-methoxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C17H15N5O2	1
1	IC50 = 1.2 nM Bioactivity Info	TI LI LO TS
CP0903148 Compound Info	(R)-6-((4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl)-1-methyl-1H-benzo[d][1,2,3]triazole Show/Hide	C16H13ClN6	1
1	IC50 = 1.38 nM Bioactivity Info	TI LI LO TS
CP0457964 Compound Info	(4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}-2-iodophenyl) sulfamate Show/Hide	C16H13IN6O3S	1
1	IC50 = 1.5 nM Bioactivity Info	TI LI LO TS
CP0046488 Compound Info	2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Show/Hide	C17H19N5	1
1	IC50 = 1.5 nM Bioactivity Info	TI LI LO TS
CP0374008 Compound Info	6-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-3-carbonitrile Show/Hide	C16H12N4	1
1	IC50 = 1.7 nM Bioactivity Info	TI LI LO TS
CP0401140 Compound Info	4-[(3-bromo-4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile Show/Hide	C16H11BrN4O	1
1	IC50 = 1.8 nM Bioactivity Info	TI LI LO TS
CP0390031 Compound Info	2'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-5'-cyanobiphenyl-4-yl sulfamate Show/Hide	C16H12ClN5O3S	1
1	IC50 = 1.9 nM Bioactivity Info	TI LI LO TS
CP0374003 Compound Info	5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobiphenyl-4-yl sulfamate Show/Hide	C16H13N5O3S	1
1	IC50 = 2 nM Bioactivity Info	TI LI LO TS
CP0579861 Compound Info	1-[(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methyl]-1,2,4-triazole Show/Hide	C18H14ClN3O2	1
1	IC50 = 2.01 nM Bioactivity Info	TI LI LO TS
CP0207557 Compound Info	[1-chloro-6-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]naphthalen-2-yl] sulfamate Show/Hide	C20H15ClN6O3S	1
1	IC50 = 2.1 nM Bioactivity Info	TI LI LO TS
CP0429111 Compound Info	[3-[2-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]ethyl]-1-methylindol-5-yl] sulfamate Show/Hide	C20H19N7O3S	1
1	IC50 = 2.3 nM Bioactivity Info	TI LI LO TS
CP0390027 Compound Info	5'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-2'-cyanobiphenyl-4-yl dimethylsulfamate Show/Hide	C18H16ClN5O3S	1
1	IC50 = 2.4 nM Bioactivity Info	TI LI LO TS
CP0496922 Compound Info	4-{[(3-chloro-4-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H12ClN5O	1
1	IC50 = 2.5 nM Bioactivity Info	TI LI LO TS
CP0068046 Compound Info	(rac)-6-((4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl)-1-methyl-1H-benzo[d][1,2,3]triazole Show/Hide	C16H13ClN6	1
1	IC50 = 2.59 nM Bioactivity Info	TI LI LO TS
CP0380339 Compound Info	[1-[2-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]ethyl]indol-5-yl] sulfamate Show/Hide	C19H17N7O3S	1
1	IC50 = 2.7 nM Bioactivity Info	TI LI LO TS
CP0577490 Compound Info	1-[(4-chlorophenyl)-(6-pent-2-ynoxy-1-benzofuran-2-yl)methyl]-1,2,4-triazole Show/Hide	C22H18ClN3O2	1
1	IC50 = 2.76 nM Bioactivity Info	TI LI LO TS
CP0505376 Compound Info	4-{[(3-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H13N5O	1
1	IC50 = 2.8 nM Bioactivity Info	TI LI LO TS
CP0522665 Compound Info	4-{[(4-hydroxy-3-methoxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C17H15N5O2	1
1	IC50 = 2.8 nM Bioactivity Info	TI LI LO TS
CP0465604 Compound Info	(2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}-6-methoxyphenyl) sulfamate Show/Hide	C17H15ClN6O4S	1
1	IC50 = 2.9 nM Bioactivity Info	TI LI LO TS
CP0493668 Compound Info	4-{[(3-fluoro-4-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H12FN5O	1
1	IC50 = 2.9 nM Bioactivity Info	TI LI LO TS
CP0395022 Compound Info	Letrozole derivative, 40 Show/Hide	C16H12BrN5O3S	1
1	IC50 = 3 nM Bioactivity Info	TI LI LO TS
CP0380337 Compound Info	Letrozole derivative, 40a R-(+) Show/Hide	C16H12BrN5O3S	1
1	IC50 = 3.2 nM Bioactivity Info	TI LI LO TS
CP0919446 Compound Info	(S)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile hydrochloride Show/Hide	C14H14ClN3	1
1	IC50 = 3.2 nM Bioactivity Info	TI LI LO TS
CP0540280 Compound Info	4-[(S)-(3-bromo-4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile Show/Hide	C16H11BrN4O	1
1	IC50 = 3.4 nM Bioactivity Info	TI LI LO TS
CP0445733 Compound Info	(2-bromo-5-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate Show/Hide	C16H13BrN6O3S	1
1	IC50 = 3.9 nM Bioactivity Info	TI LI LO TS
CP0434079 Compound Info	[3-[2-[4-cyano-N-(1,2,4-triazol-4-yl)anilino]ethyl]-1-benzofuran-5-yl] sulfamate Show/Hide	C19H16N6O4S	1
1	IC50 = 4 nM Bioactivity Info	TI LI LO TS
CP0551683 Compound Info	1-[(6-but-2-ynoxy-1-benzofuran-2-yl)-(4-fluorophenyl)methyl]-1,2,4-triazole Show/Hide	C21H16FN3O2	1
1	IC50 = 4.1 nM Bioactivity Info	TI LI LO TS
CP0375635 Compound Info	4-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-2-carbonitrile Show/Hide	C16H12N4	1
1	IC50 = 4.6 nM Bioactivity Info	TI LI LO TS
CP0374677 Compound Info	[6-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl] sulfamate Show/Hide	C20H20N6O3S	1
1	IC50 = 5.2 nM Bioactivity Info	TI LI LO TS
CP0476395 Compound Info	4-[(3-chloro-4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile Show/Hide	C16H11ClN4O	1
1	IC50 = 5.5 nM Bioactivity Info	TI LI LO TS
CP0562829 Compound Info	2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-benzofuran-5-ol Show/Hide	C17H12ClN3O2	1
1	IC50 = 5.67 nM Bioactivity Info	TI LI LO TS
CP0390033 Compound Info	2-(5-((1H-1,2,4-triazol-1-yl)methyl)-4'-hydroxybiphenyl-3-yl)-2-methylpropanenitrile Show/Hide	C19H18N4O	1
1	IC50 = 6 nM Bioactivity Info	TI LI LO TS
CP0423268 Compound Info	4-[(4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile Show/Hide	C16H12N4O	1
1	IC50 = 7.2 nM Bioactivity Info	TI LI LO TS
CP0522664 Compound Info	4-{[(3,5-dichloro-4-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H11Cl2N5O	1
1	IC50 = 7.6 nM Bioactivity Info	TI LI LO TS
CP0508041 Compound Info	2-bromo-4-[(3-bromo-4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]phenol Show/Hide	C15H11Br2N3O2	1
1	IC50 = 10 nM Bioactivity Info	TI LI LO TS
CP0366361 Compound Info	(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-6-pent-2-ynoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione Show/Hide	C24H30O3	1
1	IC50 = 11.8 nM Bioactivity Info	TI LI LO TS
CP0445732 Compound Info	(5-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}-2-methoxyphenyl) sulfamate Show/Hide	C17H16N6O4S	1
1	IC50 = 12 nM Bioactivity Info	TI LI LO TS
CP0504217 Compound Info	Letrozole derivative, 34 Show/Hide	C16H12ClN5O3S	1
1	IC50 = 12 nM Bioactivity Info	TI LI LO TS
CP0387897 Compound Info	Letrozole derivative, 28 Show/Hide	C16H13N5O3S	1
1	IC50 = 13 nM Bioactivity Info	TI LI LO TS
CP0374673 Compound Info	Letrozole derivative, 40b S-(-) Show/Hide	C16H12BrN5O3S	1
1	IC50 = 14.3 nM Bioactivity Info	TI LI LO TS
CP0460994 Compound Info	3-((1H-1,2,4-triazol-1-yl)methyl)-3'-hydroxybiphenyl-4-carbonitrile Show/Hide	C16H12N4O	1
1	IC50 = 14.4 nM Bioactivity Info	TI LI LO TS
CP0395000 Compound Info	4-[3-(4-hydroxyphenyl)sulfonylpropyl-(1,2,4-triazol-4-yl)amino]benzonitrile Show/Hide	C18H17N5O3S	1
1	IC50 = 15 nM Bioactivity Info	TI LI LO TS
CP0460989 Compound Info	3'-((1H-1,2,4-triazol-1-yl)methyl)-5'-(2-cyanopropan-2-yl)biphenyl-4-yl sulfamate Show/Hide	C19H19N5O3S	1
1	IC50 = 17.5 nM Bioactivity Info	TI LI LO TS
CP0390032 Compound Info	5-((1H-1,2,4-triazol-1-yl)methyl)-4'-fluorobiphenyl-3-carbonitrile Show/Hide	C16H11FN4	1
1	IC50 = 19 nM Bioactivity Info	TI LI LO TS
CP0569217 Compound Info	1-[(4-chlorophenyl)-(5-pent-2-ynoxy-1-benzofuran-2-yl)methyl]-1,2,4-triazole Show/Hide	C22H18ClN3O2	1
1	IC50 = 21.05 nM Bioactivity Info	TI LI LO TS
CP0480298 Compound Info	4-{[(4-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H13N5O	1
1	IC50 = 23 nM Bioactivity Info	TI LI LO TS
CP0496920 Compound Info	5-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}-2-hydroxybenzonitrile Show/Hide	C17H12N6O	1
1	IC50 = 24 nM Bioactivity Info	TI LI LO TS
CP0502664 Compound Info	5-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hydroxybiphenyl-3-carbonitrile Show/Hide	C16H11ClN4O	1
1	IC50 = 24 nM Bioactivity Info	TI LI LO TS
CP0465606 Compound Info	(2-cyano-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate Show/Hide	C17H13N7O3S	1
1	IC50 = 27 nM Bioactivity Info	TI LI LO TS
CP0374674 Compound Info	(S)-VOROZOLE Show/Hide	C16H13ClN6	2
1	IC50 = 29 nM Bioactivity Info	TI LI LO TS
2	IC50 = 44.2 nM Bioactivity Info	TI LI LO TS
CP0374680 Compound Info	[4-[(3-methylbenzotriazol-5-yl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate Show/Hide	C16H15N7O3S	1
1	IC50 = 29 nM Bioactivity Info	TI LI LO TS
CP0381213 Compound Info	5-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-3-carbonitrile Show/Hide	C16H12N4	1
1	IC50 = 29.3 nM Bioactivity Info	TI LI LO TS
CP0579132 Compound Info	4-[(5-chloro-1-benzofuran-2-yl)-(1,2,4-triazol-1-yl)methyl]phenol Show/Hide	C17H12ClN3O2	1
1	IC50 = 30.25 nM Bioactivity Info	TI LI LO TS
CP0456203 Compound Info	[6-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]naphthalen-2-yl] sulfamate Show/Hide	C20H16N6O3S	1
1	IC50 = 31 nM Bioactivity Info	TI LI LO TS
CP0505377 Compound Info	(4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}-2-methoxyphenyl) sulfamate Show/Hide	C17H16N6O4S	1
1	IC50 = 42 nM Bioactivity Info	TI LI LO TS
CP0423414 Compound Info	(2-bromo-4-{[3-bromo-4-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl)methyl}phenyl) sulfamate Show/Hide	C15H13Br2N5O6S2	1
1	IC50 = 43 nM Bioactivity Info	TI LI LO TS
CP0084477 Compound Info	Aromasin Show/Hide	C20H24O2	1
1	IC50 = 50.1 nM Bioactivity Info	TI LI LO TS
CP0374006 Compound Info	5-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-3,4'-dicarbonitrile Show/Hide	C17H11N5	1
1	IC50 = 52 nM Bioactivity Info	TI LI LO TS
CP0390029 Compound Info	3'-((1H-1,2,4-triazol-1-yl)methyl)-3-chlorobiphenyl-4-yl sulfamate Show/Hide	C15H13ClN4O3S	1
1	IC50 = 70 nM Bioactivity Info	TI LI LO TS
CP0518876 Compound Info	3-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hydroxybiphenyl-4-carbonitrile Show/Hide	C16H11ClN4O	1
1	IC50 = 74 nM Bioactivity Info	TI LI LO TS
CP0417936 Compound Info	3'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-5'-cyanobiphenyl-4-yl sulfamate Show/Hide	C16H12ClN5O3S	1
1	IC50 = 80 nM Bioactivity Info	TI LI LO TS
CP0458613 Compound Info	(3-{[3-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl)methyl}phenyl) sulfamate Show/Hide	C15H15N5O6S2	1
1	IC50 = 99 nM Bioactivity Info	TI LI LO TS
CP0395885 Compound Info	(4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate Show/Hide	C16H14N6O3S	1
1	IC50 = 100 nM Bioactivity Info	TI LI LO TS
CP0381214 Compound Info	5-((1H-1,2,4-triazol-1-yl)methyl)-4'-hydroxybiphenyl-3-carbonitrile Show/Hide	C16H12N4O	1
1	IC50 = 112 nM Bioactivity Info	TI LI LO TS
CP0375644 Compound Info	3'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-4'-cyanobiphenyl-4-yl sulfamate Show/Hide	C16H12ClN5O3S	1
1	IC50 = 146 nM Bioactivity Info	TI LI LO TS
CP0427916 Compound Info	4-{[(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile Show/Hide	C16H9F4N5O	1
1	IC50 = 159 nM Bioactivity Info	TI LI LO TS
CP0504218 Compound Info	5-[(3-hydroxy-4-methoxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]-2-methoxyphenol Show/Hide	C17H17N3O4	1
1	IC50 = 169 nM Bioactivity Info	TI LI LO TS
CP0450388 Compound Info	3'-((1H-1,2,4-triazol-1-yl)methyl)-4'-cyanobiphenyl-4-yl sulfamate Show/Hide	C16H13N5O3S	1
1	IC50 = 176 nM Bioactivity Info	TI LI LO TS
CP0423270 Compound Info	4-[(4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]phenol Show/Hide	C15H13N3O2	1
1	IC50 = 178 nM Bioactivity Info	TI LI LO TS
CP0430969 Compound Info	1-(biphenyl-3-ylmethyl)-1H-1,2,4-triazole Show/Hide	C15H13N3	1
1	IC50 = 210 nM Bioactivity Info	TI LI LO TS
CP0489823 Compound Info	4-[(4-hydroxy-3-methoxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]-2-methoxyphenol Show/Hide	C17H17N3O4	1
1	IC50 = 215 nM Bioactivity Info	TI LI LO TS
CP0390041 Compound Info	3'-((1H-1,2,4-triazol-1-yl)methyl)biphenyl-4-yl sulfamate Show/Hide	C15H14N4O3S	1
1	IC50 = 275 nM Bioactivity Info	TI LI LO TS
CP0499343 Compound Info	3'-((1H-1,2,4-triazol-1-yl)methyl)-5'-cyanobiphenyl-4-yl sulfamate Show/Hide	C16H13N5O3S	1
1	IC50 = 280 nM Bioactivity Info	TI LI LO TS
CP0384442 Compound Info	4'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobiphenyl-4-yl sulfamate Show/Hide	C16H13N5O3S	1
1	IC50 = 284 nM Bioactivity Info	TI LI LO TS
CP0055053 Compound Info	6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate Show/Hide	C14H15NO5S	1
1	IC50 = 300 nM Bioactivity Info	TI LI LO TS
CP0417946 Compound Info	4-((1H-1,2,4-triazol-1-yl)methyl)-3'-chloro-4'-hydroxybiphenyl-2-carbonitrile Show/Hide	C16H11ClN4O	1
1	IC50 = 380 nM Bioactivity Info	TI LI LO TS
CP0390040 Compound Info	4'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-2'-cyanobiphenyl-4-yl sulfamate Show/Hide	C16H12ClN5O3S	1
1	IC50 = 571 nM Bioactivity Info	TI LI LO TS
CP0873675 Compound Info	FADROZOLE HYDROCHLORIDE Show/Hide	C14H14ClN3	1
1	IC50 = 680 nM Bioactivity Info	TI LI LO TS
CP0374007 Compound Info	4-((1H-1,2,4-Triazol-1-yl)methyl)-4'-hydroxybiphenyl-2-carbonitrile Show/Hide	C16H12N4O	1
1	IC50 = 920 nM Bioactivity Info	TI LI LO TS
CP0456186 Compound Info	3-[(3-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]phenol Show/Hide	C15H13N3O2	1
1	IC50 = 2457 nM Bioactivity Info	TI LI LO TS
CP0428644 Compound Info	(4-{[4-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl)methyl}phenyl) sulfamate Show/Hide	C15H15N5O6S2	1
1	IC50 = 3044 nM Bioactivity Info	TI LI LO TS
CP0551681 Compound Info	1-[(5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]-1,2,4-triazole Show/Hide	C18H14ClN3O2	1
1	IC50 > 1000 nM Bioactivity Info	TI LI LO TS
CP0551682 Compound Info	1-[(5-chloro-1-benzofuran-2-yl)-(4-pent-2-ynoxyphenyl)methyl]-1,2,4-triazole Show/Hide	C22H18ClN3O2	1
1	IC50 > 1000 nM Bioactivity Info	TI LI LO TS

Cell Line ID: CL000083 , MCF-7

Cell Line Info

Cell Line ID: CL000261 , SK-BR-3

Cell Line Info

Cell Line ID: CL000078 , T-47D

Cell Line Info

Biochemical Assays

Compound ID	Compound Name	Compound Formula
CP0429110 Compound Info	[1-bromo-6-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]naphthalen-2-yl] sulfamate Show/Hide	C20H15BrN6O3S	1
1	IC50 = 0.25 nM
CP0233111 Compound Info	4-[2-(3-chloro-4-hydroxyphenyl)sulfanylethyl-(1,2,4-triazol-4-yl)amino]benzonitrile Show/Hide	C17H14ClN5OS	1
1	IC50 = 0.26 nM
CP0259310 Compound Info	(2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate Show/Hide	C16H13BrN6O3S	1
1	IC50 = 0.82 nM
CP0055110 Compound Info	4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile Show/Hide	C17H11N5	17
1	IC50 = 1 nM
2	IC50 = 1.9 nM
3	IC50 = 2 nM
4	IC50 = 3.3 nM
5	IC50 = 3.4 nM
6	IC50 = 4 nM
7	IC50 = 4.2 nM
8	IC50 = 5.3 nM
9	IC50 = 6.1 nM
10	IC50 = 8 nM
11	IC50 = 9.95 nM
12	IC50 = 10 nM
13	IC50 = 26 nM
14	IC50 = 36 nM
15	IC50 = 49.5 nM
16	Ki = 0.02 nM
17	Ki = 2.2 nM
CP0068046 Compound Info	(rac)-6-((4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl)-1-methyl-1H-benzo[d][1,2,3]triazole Show/Hide	C16H13ClN6	1
1	IC50 = 1.4 nM
CP0046488 Compound Info	2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Show/Hide	C17H19N5	4
1	IC50 = 1.5 nM
2	IC50 = 8 nM
3	IC50 = 12 nM
4	Ki = 0.13 nM
CP0207557 Compound Info	[1-chloro-6-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]naphthalen-2-yl] sulfamate Show/Hide	C20H15ClN6O3S	2
1	IC50 = 2.1 nM
2	IC50 = 26 nM
CP0116773 Compound Info	4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonitrile Show/Hide	C14H13N3	9
1	IC50 = 3 nM
2	IC50 = 30 nM
3	IC50 = 41 nM
4	IC50 = 50 nM
5	IC50 = 52 nM
6	IC50 = 200 nM
7	Ki = 0.05 nM
8	Ki = 0.6 nM
9	Ki = 1.5 nM
CP0366361 Compound Info	(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-6-pent-2-ynoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione Show/Hide	C24H30O3	1
1	IC50 = 12 nM
CP0084477 Compound Info	Aromasin Show/Hide	C20H24O2	2
1	IC50 = 23 nM
2	IC50 = 230 nM
CP0041321 Compound Info	(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one Show/Hide	C15H12O5	4
1	IC50 = 230 nM
2	IC50 = 1000 nM
3	IC50 = 1200 nM
4	IC50 = 3300 nM
CP0040176 Compound Info	3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione Show/Hide	C13H16N2O2	13
1	IC50 = 270 nM
2	IC50 = 1900 nM
3	IC50 = 6130 nM
4	IC50 = 7000 nM
5	IC50 = 8300 nM
6	IC50 = 28500 nM
7	IC50 = 29750 nM
8	IC50 = 37000 nM
9	Ki = 600 nM
10	Ki = 680 nM
11	Ki = 1410 nM
12	Ki = 1800 nM
13	Km = 90 nM
CP0351698 Compound Info	3-(imidazol-1-ylmethyl)-6-pent-2-ynoxyxanthen-9-one Show/Hide	C22H18N2O3	1
1	IC50 = 770 nM
CP0013882 Compound Info	5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one Show/Hide	C15H10O5	1
1	IC50 = 1200 nM
CP0329816 Compound Info	1-(imidazol-1-ylmethyl)-3-pent-2-ynoxyxanthen-9-one Show/Hide	C22H18N2O3	1
1	IC50 = 2850 nM
CP0351697 Compound Info	4-(imidazol-1-ylmethyl)-2-pent-2-ynoxyxanthen-9-one Show/Hide	C22H18N2O3	1
1	IC50 = 5550 nM

Clinical Information about the Protein

Target 1 ( Aromatase (CYP19A1) )

Target Type	Successful Target
Disease	5 Target-related Diseases				5
1	Cushing disease [ICD-11: 5A70]
2	Breast cancer [ICD-11: 2C60-2C65]
3	Hormonally-responsive breast cancer [ICD-11: 2C60-2C65]
4	Dermatological disease [ICD-11: DA24.Y]
5	Diabetic neuropathy [ICD-11: 8C0Z]
Approved Drug(s)	6 Approved Drugs				6
1	Aminoglutethimide	Drug Info	Approved	Cushing disease
2	Anastrozole	Drug Info	Approved	Breast cancer
3	Exemestane	Drug Info	Approved	Hormonally-responsive breast cancer
4	FADROZOLE	Drug Info	Approved	Breast cancer
5	Letrozole	Drug Info	Approved	Hormonally-responsive breast cancer
6	Testolactone	Drug Info	Approved	Breast cancer
Clinical Trial Drug(s)	3 Clinical Trial Drugs				3
1	LIAROZOLE	Drug Info	Phase 2/3	Dermatological disease
2	Coumate	Drug Info	Phase 2	Breast cancer
3	Dextromethorphan+quinidine	Drug Info	Phase 2	Diabetic neuropathy
Discontinued Drug(s)	3 Discontinued Drugs				3
1	FORMESTANE	Drug Info	Withdrawn from market	Breast cancer
2	YM-511	Drug Info	Discontinued in Phase 2	Breast cancer
3	Rogletimide	Drug Info	Terminated	Breast cancer

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han