CHEMBL64542


SMILES O=C(O)CSCCCS[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1
InChIKey NEWBNFQOFWWYHJ-ZMCLOISQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 410.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP1 PE2R1 Mouse Prostanoid A pKi 5.58 5.58 5.58 ChEMBL
EP2 PE2R2 Mouse Prostanoid A pKi 5.41 5.41 5.41 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 8.15 8.15 8.15 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 6.89 6.89 6.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Mouse Prostanoid A pEC50 7.47 7.47 7.47 ChEMBL