A286982

Ligand id: 6592

Name: A286982

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 111.74
Molecular weight 453.17
XLogP 5.51
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one
Synonyms
A 286982
A-286982
Database Links
CAS Registry No. 280749-17-9
ChEMBL Ligand CHEMBL19677
PubChem CID 9846729
Search Google for chemical match using the InChIKey HTGGAYLWTDOFDK-PKNBQFBNSA-N
Search Google for chemicals with the same backbone HTGGAYLWTDOFDK
Comments
Potent inhibitor of the LFA-1/ICAM-1 interaction.