CHEMBL305126


SMILES COc1ccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)cc1
InChIKey AZYKMZOJGGSIIB-DXWQYRMGSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 440.1

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
EP1 PE2R1 Mouse Prostanoid A pKi 5.51 5.51 5.51 ChEMBL
EP2 PE2R2 Mouse Prostanoid A pKi 5.82 5.82 5.82 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 8.15 8.15 8.15 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 6.66 6.66 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Mouse Prostanoid A pEC50 7.5 7.5 7.5 ChEMBL