CHEMBL2036322


SMILES O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1
InChIKey PWCLBJYOGZNYIQ-PCBIHFGQSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 534.1

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 Mouse Prostanoid A pKi 5.57 5.57 5.57 ChEMBL
EP2 PE2R2 Mouse Prostanoid A pKi 8.68 8.68 8.68 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 9.92 9.92 9.92 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 5.77 5.77 5.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP2 PE2R2 Rat Prostanoid A pEC50 5.82 5.82 5.82 ChEMBL
EP4 PE2R4 Rat Prostanoid A pEC50 8.28 8.28 8.28 ChEMBL