General Information of the Compound
Compound ID
CP0006743
Compound Name
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
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Structure
Formula
C16H19NO3S
Molecular Weight
305.399
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
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InChI
InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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InChIKey
FQUAFMNPXPXOJE-UHFFFAOYSA-N
Physicochemical Property
logP
3.42126
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 743974
ChEMBL ID
CHEMBL3311308
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 > 39810.72 nM
   TI
   LI
   LO
   TS
2
IC50 > 39810.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 > 39810.72 nM
   TI
   LI
   LO
   TS
2
IC50 > 39810.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 > 31622.78 nM
   TI
   LI
   LO
   TS
Protein ID: PT01783, Endothelin receptor type B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT02522, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 31622.78 nM
   TI
   LI
   LO
   TS
Protein ID: PT04613, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 31622.78 nM
   TI
   LI
   LO
   TS
Protein ID: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  2
1
EC50 > 31622.78 nM
   TI
   LI
   LO
   TS
2
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT06211, Free fatty acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  2
1
EC50 > 31622.78 nM
   TI
   LI
   LO
   TS
2
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT07176, Free fatty acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  2
1
EC50 > 31622.78 nM
   TI
   LI
   LO
   TS
2
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT04096, Free fatty acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  3
1
EC50 > 31622.78 nM
   TI
   LI
   LO
   TS
2
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
3
IC50 > 39810.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT04991, Free fatty acid receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  2
1
EC50 > 31622.78 nM
   TI
   LI
   LO
   TS
2
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT03133, Free fatty acid receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  3
1
EC50 > 31622.78 nM
   TI
   LI
   LO
   TS
2
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
3
IC50 > 31622.78 nM
   TI
   LI
   LO
   TS
Protein ID: PT04427, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 489.78 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 501.19 nM
   TI
   LI
   LO
   TS
Protein ID: PT03121, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 630.96 nM
   TI
   LI
   LO
   TS
CL000613 MIN6 Mus musculus (Mouse)  1
1
EC50 = 6309.57 nM
   TI
   LI
   LO
   TS
Protein ID: PT05503, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 794.33 nM
   TI
   LI
   LO
   TS
Protein ID: PT07399, G-protein coupled estrogen receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT03123, G-protein coupled receptor 39
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT02242, Gastric inhibitory polypeptide receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT01473, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 > 15848.93 nM
   TI
   LI
   LO
   TS
2
IC50 > 15848.93 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 > 15848.93 nM
   TI
   LI
   LO
   TS
2
IC50 > 15848.93 nM
   TI
   LI
   LO
   TS
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT06233, Relaxin-3 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT05347, Short transient receptor potential channel 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
2
IC50 > 39810.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03804, Sodium/glucose cotransporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 > 39810.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT02822, Solute carrier family 15 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
2
IC50 > 39810.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT07330, Solute carrier family 5 member 4B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 > 39810.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT03450, Taste receptor type 2 member 14
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  2
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
IC50 > 39810.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT06702, Taste receptor type 2 member 16
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  2
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
2
IC50 > 39810.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT06671, Taste receptor type 2 member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06475, Taste receptor type 2 member 41
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT06617, Taste receptor type 2 member 60
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT06614, Taste receptor type 2 member 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 25118.86 nM
   TI
   LI
   LO
   TS
Protein ID: PT06248, Transient receptor potential cation channel subfamily M member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 > 50118.72 nM
   TI
   LI
   LO
   TS
2
IC50 > 39810.72 nM
   TI
   LI
   LO
   TS
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 15848.93 nM
   TI
   LI
   LO
   TS