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Details

Stereochemistry ACHIRAL
Molecular Formula C29H30N8O5
Molecular Weight 570.5991
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-269962A

SMILES

CCN1C(=NC2=C1C=C(OC3=CC(NC(=O)C4=CC=C(OCCN5CCOCC5)C=C4)=CC=C3)N=C2)C6=NON=C6N

InChI

InChIKey=YOVNFNXUCOWYSG-UHFFFAOYSA-N
InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)

HIDE SMILES / InChI

Molecular Formula C29H30N8O5
Molecular Weight 570.5991
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q13464
Gene ID: 6093.0
Gene Symbol: ROCK1
Target Organism: Homo sapiens (Human)
1.6 nM [IC50]
Target ID: O75116
Gene ID: 9475.0
Gene Symbol: ROCK2
Target Organism: Homo sapiens (Human)
4.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:43:12 UTC 2023
Edited
by admin
on Sat Dec 16 18:43:12 UTC 2023
Record UNII
F89KMM7TE2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-269962A
Common Name English
GSK269962A
Code English
N-(3-((2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-1H-IMIDAZO(4,5-C)PYRIDIN-6-YL)OXY)PHENYL)-4-(2-(4-MORPHOLINYL)ETHOXY)BENZAMIDE
Systematic Name English
BENZAMIDE, N-(3-((2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-1H-IMIDAZO(4,5-C)PYRIDIN-6-YL)OXY)PHENYL)-4-(2-(4-MORPHOLINYL)ETHOXY)-
Systematic Name English
GSK-269962
Code English
GSK269962B
Code English
Code System Code Type Description
CAS
850664-21-0
Created by admin on Sat Dec 16 18:43:12 UTC 2023 , Edited by admin on Sat Dec 16 18:43:12 UTC 2023
PRIMARY
IUPHAR
8037
Created by admin on Sat Dec 16 18:43:12 UTC 2023 , Edited by admin on Sat Dec 16 18:43:12 UTC 2023
PRIMARY
PUBCHEM
16095342
Created by admin on Sat Dec 16 18:43:12 UTC 2023 , Edited by admin on Sat Dec 16 18:43:12 UTC 2023
PRIMARY
FDA UNII
F89KMM7TE2
Created by admin on Sat Dec 16 18:43:12 UTC 2023 , Edited by admin on Sat Dec 16 18:43:12 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY