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]
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.
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