JNJ-40346527

Ligand id: 8942

Name: JNJ-40346527

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 103.69
Molecular weight 461.28
XLogP 5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-cyano-N-[2-(4,4-dimethylcyclohex-1-en-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)pyridin-3-yl]-1H-imidazole-2-carboxamide
Synonyms
US8497376, 15
Database Links
BindingDB Ligand 98634
PubChem CID 25230468
Search Google for chemical match using the InChIKey BNVPFDRNGHMRJS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BNVPFDRNGHMRJS
Search UniChem for chemical match using the InChIKey BNVPFDRNGHMRJS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BNVPFDRNGHMRJS
Comments
JNJ-40346527 was identified in a medicinal-chemistry lead optimization study to develop oral, selective CSF1R kinase inhibitors. JNJ-40346527 is compound I-S in patent US20140045789 [2]. PubChem CID 25230468 is a tautomer which is also covered by the patent. Clinical development of JNJ-40346527 was terminated in 2014 due to a lack of efficacy.