CHEMBL3928703


SMILES COC(=O)CCC/C=C\C[C@H]1C(=O)C(C)(C)[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1
InChIKey ZELKHLBDQHQEJW-NRBAOQCDSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 428.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP1 PE2R1 Human Prostanoid A pIC50 6.2 6.2 6.2 ChEMBL
EP4 PE2R4 Human Prostanoid A pIC50 5.62 5.89 6.16 ChEMBL
EP4 PE2R4 Human Prostanoid A pEC50 5.5 5.5 5.5 ChEMBL
EP3 PE2R3 Human Prostanoid A pIC50 5.18 5.18 5.18 ChEMBL