CHEMBL2036319


SMILES COc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)O)cs3)c2)cc1
InChIKey DWLBFFMLIQEQIV-ORMBLBCUSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 524.1

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 5.27 5.27 5.27 ChEMBL
EP2 PE2R2 Mouse Prostanoid A pKi 8.04 8.04 8.04 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 8.77 8.77 8.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP2 PE2R2 Rat Prostanoid A pEC50 5.34 5.34 5.34 ChEMBL
EP4 PE2R4 Rat Prostanoid A pEC50 7.82 7.82 7.82 ChEMBL