BAYu9773

Ligand id: 3381

Name: BAYu9773

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 120.13
Molecular weight 472.23
XLogP 7.67
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}benzoic acid
Synonyms
BAY u9773 | BAY-u 9773
Database Links
ChEMBL Ligand CHEMBL285954
GtoPdb PubChem SID 178100399
PubChem CID 5311015
Search Google for chemical match using the InChIKey PKJINWOACFYDQN-RBVMPENBSA-N
Search Google for chemicals with the same backbone PKJINWOACFYDQN
Search UniChem for chemical match using the InChIKey PKJINWOACFYDQN-RBVMPENBSA-N
Search UniChem for chemicals with the same backbone PKJINWOACFYDQN
Comments
BAYu9773 is a dual CysLT1 and CysLT2 receptor antagonist.