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
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.
Database Links
GtoPdb PubChem SID 348353678
PubChem CID 58431184
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