U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H20BrN3O2S
Molecular Weight 446.361
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of H-89

SMILES

BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1

InChI

InChIKey=ZKZXNDJNWUTGDK-NSCUHMNNSA-N
InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+

HIDE SMILES / InChI

Molecular Formula C20H20BrN3O2S
Molecular Weight 446.361
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
135.0 nM [Ki]
Target ID: P23443
Gene ID: 6198.0
Gene Symbol: RPS6KB1
Target Organism: Homo sapiens (Human)
80.0 nM [IC50]
Target ID: O75582
Gene ID: 9252.0
Gene Symbol: RPS6KA5
Target Organism: Homo sapiens (Human)
120.0 nM [IC50]
Target ID: O75116
Gene ID: 9475.0
Gene Symbol: ROCK2
Target Organism: Homo sapiens (Human)
270.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:22:15 GMT 2023
Edited
by admin
on Fri Dec 15 19:22:15 GMT 2023
Record UNII
M876330O56
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
H-89
Common Name English
5-ISOQUINOLINESULFONAMIDE, N-(2-((3-(4-BROMOPHENYL)-2-PROPEN-1-YL)AMINO)ETHYL)-
Systematic Name English
N-(2-(4-BROMOCINNAMYLAMINO)ETHYL)-5-ISOQUINOLINESULFONAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
449241
Created by admin on Fri Dec 15 19:22:15 GMT 2023 , Edited by admin on Fri Dec 15 19:22:15 GMT 2023
PRIMARY
DRUG BANK
DB07995
Created by admin on Fri Dec 15 19:22:15 GMT 2023 , Edited by admin on Fri Dec 15 19:22:15 GMT 2023
PRIMARY
CAS
127243-85-0
Created by admin on Fri Dec 15 19:22:15 GMT 2023 , Edited by admin on Fri Dec 15 19:22:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID801022528
Created by admin on Fri Dec 15 19:22:15 GMT 2023 , Edited by admin on Fri Dec 15 19:22:15 GMT 2023
PRIMARY
WIKIPEDIA
H-89
Created by admin on Fri Dec 15 19:22:15 GMT 2023 , Edited by admin on Fri Dec 15 19:22:15 GMT 2023
PRIMARY
FDA UNII
M876330O56
Created by admin on Fri Dec 15 19:22:15 GMT 2023 , Edited by admin on Fri Dec 15 19:22:15 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Enzymatic Assay
IC50
Related Record Type Details
ACTIVE MOIETY