GSK2816126

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Synonyms
Status
Molecule Category Free-form
UNII W4OGW9QZ97

Structure

InChI Key FKSFKBQGSFSOSM-QFIPXVFZSA-N
Smiles CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21
InChI
InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H38N6O2
Molecular Weight 526.69
AlogP 4.63
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 95.05
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
Histone-lysine N-methyltransferase EZH2 inhibitor INHIBITOR Other Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Writer Protein methyltransferase
- 1-280 - 0.5-0.5 -
Unclassified protein
- 16 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1-280 - 0.5-0.5 -

Target Conservation

Protein: Histone-lysine N-methyltransferase EZH2
Description: Histone-lysine N-methyltransferase EZH2
Organism : Homo sapiens
Q15910 ENSG00000106462

Cross References

Resources Reference
ChEBI 124921
ChEMBL CHEMBL3287735
FDA SRS W4OGW9QZ97
Guide to Pharmacology 7012
PDB A9G
SureChEMBL SCHEMBL12180401
ZINC ZINC000072318146
CONTENTS