CHEMBL2164609


SMILES COc1cc(C/C=C/c2ccccc2/C=C/C(=O)NS(=O)(=O)c2cccs2)ccc1OCCn1cc2ccccc2c1C#N
InChIKey VPTIIMVBILWEMO-IKSXBEDHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 623.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP1 PE2R1 Human Prostanoid A pKi 4.69 4.69 4.69 ChEMBL
EP2 PE2R2 Human Prostanoid A pKi 4.97 4.97 4.97 ChEMBL
EP3 PE2R3 Human Prostanoid A pKi 7.58 7.58 7.58 ChEMBL
EP4 PE2R4 Human Prostanoid A pKi 5.03 5.03 5.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database