compound 10a [PMID: 1447738]

Ligand id: 8753

Name: compound 10a [PMID: 1447738]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 104.74
Molecular weight 436.18
XLogP 5.23
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-[(4-fluorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid
Database Links
BindingDB Ligand 50003792
ChEMBL Ligand CHEMBL136762
PubChem CID 9803080
Search Google for chemical match using the InChIKey TYYCNSUODPEVQP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TYYCNSUODPEVQP
Search UniChem for chemical match using the InChIKey TYYCNSUODPEVQP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TYYCNSUODPEVQP
Comments
Compound 10a acts as an inhibitor of thromboxane-A synthase (CYP5A1) and as an antagonist of thromboxane receptors in human washed platelets [1].