Brief Information of the Compound and Protein
Compound Name
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
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PubChem ID
CID: 46224516
Canonical SMILES
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
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Compound Formula C30H47N5O2
Compound Structure
Protein Name
Histone-lysine N-methyltransferase EHMT2
Protein Classification
Epigenetic regulator
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Protein methyltransferase
Uniprot ID
Q96KQ7
Gene Name
EHMT2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000237 22Rv1 Homo sapiens (Human)  1
1
IC50 = 48 nM
   TI
   LI
   LO
   TS
CL000067 HCT 116 Homo sapiens (Human)  2
1
IC50 = 210 nM
   TI
   LI
   LO
   TS
2
IC50 = 240 nM
   TI
   LI
   LO
   TS
CL000411 IMR-90 Homo sapiens (Human)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 70 nM
   TI
   LI
   LO
   TS
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
IC50 = 81 nM
   TI
   LI
   LO
   TS
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 59 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 26 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 < 2.5 nM
2 IC50 = 2.5 nM
3 IC50 = 12 nM
4 IC50 < 15 nM
5 IC50 = 15 nM
6 IC50 = 25 nM
7 IC50 = 30 nM
8 IC50 = 55 nM
9 IC50 = 610 nM
10 Ki = 3.7 nM
11 Ki = 18 nM