vapiprost


SMILES OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O
InChIKey GQGRDYWMOPRROR-XUSMOFMBSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 477.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TP TA2R Human Prostanoid A pKi 8.3 8.85 9.4 Guide to Pharmacology
TP TA2R Mouse Prostanoid A pKi 7.9 7.9 7.9 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TP TA2R Human Prostanoid A pIC50 7.92 7.92 7.92 ChEMBL