Ligand Id: 1987
Ligand name ifetroban

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 101.66
Molecular weight 440.23
XLogP 5.66
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
3-[2-[[(1S,5S,6R)-5-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic acid
International Nonproprietary Names
INN number INN
7252 ifetroban
Synonyms
(1s-(1α,2α,3α,4α)-2-([3-{4-([pentylamino]carbonyl)-2-oxazolyl}-7-oxabicyclo{2.2.1}hept-2-yl]methyl)benzenepropanoic acid; also known as ifetroban
3-[2-[[(1S,5S,6R)-5-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]hept-6-yl]methyl]phenyl]propanoic acid
BMS180291
BMS 180291
BMS 180291-02
Database Links
ChEMBL Ligand 129608
PubChem CID 64924
Search on ChemSpider BBPRUNPUJIUXSE-OSUJBIHNSA-N
ZINC ZINC03793091
iPHACE 3HHK4G19

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org