edicotinib

Ligand id: 8942

Name: edicotinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 103.69
Molecular weight 461.28
XLogP 4.84
No. Lipinski's rules broken 0

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
International Nonproprietary Names
INN number INN
10756 edicotinib
Synonyms
JNJ-40346527 | JNJ40346527 | US8497376, 15
Comments
Edicotinib (PRV-6527; previously JNJ-40346527) was identified in a medicinal-chemistry lead optimization study to develop oral, selective CSF1R kinase inhibitors. The chemical structure is compound I-S in patent US20140045789 [2]. PubChem CID 25230468 is a tautomer which is also claimed in the patent.
Database Links
BindingDB Ligand 98634
CAS Registry No. 1142363-52-7 (source: WHO INN record)
GtoPdb PubChem SID 310264723
PubChem CID 25230468
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