BI-1950

Ligand id: 9719

Name: BI-1950

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 133.01
Molecular weight 645.15
XLogP 5.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-{[(3R)-3-[(4-cyanophenyl)methyl]-1-(3,5-dichloro-4-fluorophenyl)-3-methyl-2-oxo-1H,2H,3H-[1,3]diazolo[1,2-a]imidazol-5-yl]formamido}-N-[1-(pyridin-2-yl)cyclopropyl]propanamide
Database Links
GtoPdb PubChem SID 348353678
Search Google for chemical match using the InChIKey JZTTUZXIQIRVAB-FZEVHQGJSA-N
Search Google for chemicals with the same backbone JZTTUZXIQIRVAB
Search UniChem for chemical match using the InChIKey JZTTUZXIQIRVAB-FZEVHQGJSA-N
Search UniChem for chemicals with the same backbone JZTTUZXIQIRVAB
Comments
BI-1950 is a potent inhibitor of the LFA-1/ICAM-1 interaction. It is active in vitro and in vivo.
This ligand is one of the compounds available from Boehringer Ingelheim's opnMe molecular library.