CHEMBL3906016


SMILES O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1
InChIKey JQSUCRMHKFCGBV-FSKZSRKQSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 456.1

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
EP2 PE2R2 Human Prostanoid A pKi 5.84 5.93 6.02 ChEMBL
EP4 PE2R4 Human Prostanoid A pKi 6.98 8.33 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP2 PE2R2 Human Prostanoid A pEC50 6.56 7.41 8.1 ChEMBL
EP3 PE2R3 Human Prostanoid A pEC50 6.75 6.75 6.75 ChEMBL
EP4 PE2R4 Human Prostanoid A pEC50 7.92 9.31 10.3 ChEMBL
TP TA2R Human Prostanoid A pEC50 6.97 6.98 7.0 ChEMBL