CHEMBL3558858


SMILES COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C
InChIKey YDEXMGGWTNDKSL-OSKFTWAGSA-O

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 14
Molecular weight (Da) 615.3

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 Human Prostanoid A pKi 4.16 4.16 4.16 ChEMBL
EP2 PE2R2 Human Prostanoid A pKi 5.53 5.53 5.53 ChEMBL
EP3 PE2R3 Human Prostanoid A pKi 6.87 6.87 6.87 ChEMBL
EP4 PE2R4 Human Prostanoid A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database