CHEMBL2164608


SMILES COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCCn1cc2ccccc2c1C#N
InChIKey MDRAJBLIYXCTEC-BTSHEXGNSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 478.2

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 4.8 4.8 4.8 ChEMBL
EP2 PE2R2 Human Prostanoid A pKi 5.37 5.37 5.37 ChEMBL
EP3 PE2R3 Human Prostanoid A pKi 7.75 7.75 7.75 ChEMBL
EP4 PE2R4 Human Prostanoid A pKi 5.5 5.5 5.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database