compound 35 [PMID: 20684608]

Ligand id: 8209

Name: compound 35 [PMID: 20684608]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 91.51
Molecular weight 475.26
XLogP 3.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R)-6-methoxy-N-[2-[(1-methylpiperidin-4-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Database Links
ChEMBL Ligand CHEMBL1215304
GtoPdb PubChem SID 249565889
PubChem CID 46864283
Search Google for chemical match using the InChIKey GFWDPXHTWJXOEI-RUZDIDTESA-N
Search Google for chemicals with the same backbone GFWDPXHTWJXOEI
Search UniChem for chemical match using the InChIKey GFWDPXHTWJXOEI-RUZDIDTESA-N
Search UniChem for chemicals with the same backbone GFWDPXHTWJXOEI
Comments
Compound 35 is reported in [1] as a novel inhibitor of Rho kinases.