CHEMBL2036325


SMILES O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4s3)c2)n1
InChIKey COBKGDMIGLRUQR-CNIPWFDFSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 585.1

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 6.17 6.17 6.17 ChEMBL
EP2 PE2R2 Mouse Prostanoid A pKi 7.66 7.66 7.66 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 9.6 9.6 9.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Rat Prostanoid A pEC50 8.01 8.01 8.01 ChEMBL