BI-1935

Ligand id: 9717

Name: BI-1935

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 102.24
Molecular weight 498.16
XLogP 3.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(2-ethoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
Synonyms
BI 1935 | example 3 [WO2007067836]
Database Links
GtoPdb PubChem SID 348353676
PubChem CID 57861407
Search Google for chemical match using the InChIKey KMESAVNRPDKZCQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KMESAVNRPDKZCQ
Search UniChem for chemical match using the InChIKey KMESAVNRPDKZCQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KMESAVNRPDKZCQ
Comments
BI-1935 is a potent and selective small molecule inhibitor of epoxide hydrolase 2 (a.k.a. soluble epoxide hydrolase, sEH). It is claimed as Example 3 in Boehringer Ingelheim's patent WO2007067836 [1].
This ligand is one of the compounds available from Boehringer Ingelheim's opnMe molecular library.