Rho kinase inhibitor III   

GtoPdb Ligand ID: 6032

Synonyms: rockout
Compound class: Synthetic organic
Comment: This compound is a cell-permeable, ATP-competitive inhibitor of Rho kinase activity [4].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 28.68
Molecular weight 194.08
XLogP 2.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES n1ccc(cc1)c1c[nH]c2c1cccc2
Isomeric SMILES n1ccc(cc1)c1c[nH]c2c1cccc2
InChI InChI=1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H
InChI Key LLJRXVHJOJRCSM-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-(pyridin-4-yl)-1H-indole
Synonyms
rockout
Database Links
CAS Registry No. 7272-84-6
ChEMBL Ligand CHEMBL380071
GtoPdb PubChem SID 178102654
PubChem CID 644354
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