I-BOP


SMILES OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2
InChIKey UYFMSCHBODMWON-HBHIRWTLSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 512.1

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 pKd 8.94 9.13 9.32 Guide to Pharmacology
TP TA2R Mouse Prostanoid A pKi 9.3 9.3 9.3 Guide to Pharmacology
EP3 PE2R3 Mouse Prostanoid A pKi 7.0 7.0 7.0 Guide to Pharmacology
FP PF2R Mouse Prostanoid A pKi 7.0 7.0 7.0 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TP TA2R Human Prostanoid A pIC50 7.3 7.3 7.3 ChEMBL