compound 6j [PMID: 27219676]

Ligand id: 9230

Name: compound 6j [PMID: 27219676]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 75.94
Molecular weight 492.19
XLogP 5.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4R)-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
Database Links
PubChem CID 121231414
Search Google for chemical match using the InChIKey CMJJZRAAQMUAFH-INIZCTEOSA-N
Search Google for chemicals with the same backbone CMJJZRAAQMUAFH
Search UniChem for chemical match using the InChIKey CMJJZRAAQMUAFH-INIZCTEOSA-N
Search UniChem for chemicals with the same backbone CMJJZRAAQMUAFH
Comments
Compound 6j is a preclinical, orally available and selective inhibitor of discoidin domain receptor 1 (DDR1) [5]. The compound has a favourable pharmacokinetic profile.