QAV680

Ligand id: 8996

Name: QAV680

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 97.64
Molecular weight 358.1
XLogP 2.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic acid
Synonyms
NVP-QAV680
Database Links
BindingDB Ligand 50442299
ChEMBL Ligand CHEMBL2442750
PubChem CID 11508736
Search Google for chemical match using the InChIKey YOPFAMROKXHVCQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YOPFAMROKXHVCQ
Search UniChem for chemical match using the InChIKey YOPFAMROKXHVCQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YOPFAMROKXHVCQ
Comments
QAV680 is an investigational antagonist of the prostanoid DP2 receptor (CRTh2) with anti-inflammatory action.