CHEMBL1957436


SMILES O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1
InChIKey FZLGDIHXQOETBY-PCBIHFGQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 528.1

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 5.2 5.2 5.2 ChEMBL
EP2 PE2R2 Mouse Prostanoid A pKi 8.77 8.77 8.77 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 9.09 9.09 9.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP2 PE2R2 Rat Prostanoid A pEC50 6.58 6.58 6.58 ChEMBL
EP4 PE2R4 Rat Prostanoid A pEC50 7.57 7.57 7.57 ChEMBL