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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H38N6O2
Molecular Weight 526.6724
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-2816126

SMILES

CC[C@H](C)N1C=C(C)C2=C1C=C(C=C2C(=O)NCC3=C(C)C=C(C)NC3=O)C4=CC=C(N=C4)N5CCNCC5

InChI

InChIKey=FKSFKBQGSFSOSM-QFIPXVFZSA-N
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

HIDE SMILES / InChI
Molecular Formula C31H38N6O2
Molecular Weight 526.6724
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Histone-lysine N-methyltransferase EZH2
10
Target ID: Q15910|||Q96FI6
Gene ID: 2146.0
Gene Symbol: EZH2
Target Organism: Homo sapiens (Human)
Inhibitor
8297
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:28:26 UTC 2023
Edited
by admin
on Sat Dec 16 11:28:26 UTC 2023
Record UNII
W4OGW9QZ97
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-2816126
Common Name English
GSK-2816126A
Code English
1H-INDOLE-4-CARBOXAMIDE, N-((1,2-DIHYDRO-4,6-DIMETHYL-2-OXO-3-PYRIDINYL)METHYL)-3-METHYL-1-((1S)-1-METHYLPROPYL)-6-(6-(1-PIPERAZINYL)-3-PYRIDINYL)-
Systematic Name English
GSK-126
Code English
GSK 2816126 [WHO-DD]
Common Name English
(S)-1-(SEC-BUTYL)-N-((4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDIN-3-YL)METHYL)-3-METHYL-6-(6-(PIPERAZIN-1-YL)PYRIDIN-3-YL)-1H-INDOLE-4-CARBOXAMIDE
Systematic Name English
N-((1,2-DIHYDRO-4,6-DIMETHYL-2-OXO-3-PYRIDINYL)METHYL)-3-METHYL-1-((1S)-1-METHYLPROPYL)-6-(6-(1-PIPERAZINYL)-3-PYRIDINYL)-1H-INDOLE-4-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
W4OGW9QZ97
Created by admin on Sat Dec 16 11:28:26 UTC 2023 , Edited by admin on Sat Dec 16 11:28:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID301025739
Created by admin on Sat Dec 16 11:28:26 UTC 2023 , Edited by admin on Sat Dec 16 11:28:26 UTC 2023
PRIMARY
SMS_ID
300000042352
Created by admin on Sat Dec 16 11:28:26 UTC 2023 , Edited by admin on Sat Dec 16 11:28:26 UTC 2023
PRIMARY
PUBCHEM
68210102
Created by admin on Sat Dec 16 11:28:26 UTC 2023 , Edited by admin on Sat Dec 16 11:28:26 UTC 2023
PRIMARY
CAS
1346574-57-9
Created by admin on Sat Dec 16 11:28:26 UTC 2023 , Edited by admin on Sat Dec 16 11:28:26 UTC 2023
PRIMARY
Related Record Type Details
HISTONE-LYSINE N-METHYLTRANSFERASE EZH2
TARGET -> INHIBITOR
The maximal dose and schedule attained with GSK2816126 has shown insufficient evidence of clinical activity, and does not justify further clinical investigation.
Related Record Type Details
Structure of GSK-2816126
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