CHEMBL2036324


SMILES O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4s3)c2)n1
InChIKey LHSFFQORRGHKSR-BJIJGURPSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 551.1

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 5.1 5.1 5.1 ChEMBL
EP2 PE2R2 Mouse Prostanoid A pKi 7.82 7.82 7.82 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 9.72 9.72 9.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP2 PE2R2 Rat Prostanoid A pEC50 5.57 5.57 5.57 ChEMBL
EP4 PE2R4 Rat Prostanoid A pEC50 7.89 7.89 7.89 ChEMBL