Y27632

Ligand id: 5290

Name: Y27632

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 68.01
Molecular weight 247.17
XLogP 1.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,4r)-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide
Synonyms
ROCK Inhibitor, Y-27632 | Y-27632
Database Links
CAS Registry No. 146986-50-7
ChEMBL Ligand CHEMBL559147
PubChem CID 448042
RCSB PDB Ligand Y27
Search Google for chemical match using the InChIKey IYOZTVGMEWJPKR-IJLUTSLNSA-N
Search Google for chemicals with the same backbone IYOZTVGMEWJPKR
Search UniChem for chemical match using the InChIKey IYOZTVGMEWJPKR-IJLUTSLNSA-N
Search UniChem for chemicals with the same backbone IYOZTVGMEWJPKR
SynPHARM 78584 (in complex with Rho associated coiled-coil containing protein kinase 1)
81707 (in complex with Rho associated coiled-coil containing protein kinase 1)
Wikipedia Y-27632
Comments
We represent the compound as drawn in the article by Wu et al (2010) [5]. Note that the PubChem entry for this compound is missing stereochemistry.