H-89

Ligand id: 5983

Name: H-89

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 79.47
Molecular weight 445.05
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-[3-(4-bromophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide
Synonyms
H 89
Database Links
CAS Registry No. 127243-85-0
ChEMBL Ligand CHEMBL104264
DrugBank Ligand DB07995
PubChem CID 449241
RCSB PDB Ligand IQB
Search Google for chemical match using the InChIKey ZKZXNDJNWUTGDK-NSCUHMNNSA-N
Search Google for chemicals with the same backbone ZKZXNDJNWUTGDK
Search UniChem for chemical match using the InChIKey ZKZXNDJNWUTGDK-NSCUHMNNSA-N
Search UniChem for chemicals with the same backbone ZKZXNDJNWUTGDK
SynPHARM 80427 (in complex with protein kinase, cAMP-dependent, catalytic, alpha subunit)
Wikipedia H-89
Comments
H-89 is an inhibitor of protein kinase A (PKA) [2,4].