GSK2816126

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: W4OGW9QZ97

Structure
InChI Key FKSFKBQGSFSOSM-QFIPXVFZSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

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