CHEMBL1933725


SMILES O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2)n1
InChIKey PBPWYKTUFBNANN-BWVNKGDMSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 418.1

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
EP3 PE2R3 Mouse Prostanoid A pKi 6.11 6.11 6.11 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 8.82 8.82 8.82 ChEMBL
EP2 PE2R2 Mouse Prostanoid A pKi 7.72 7.72 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP2 PE2R2 Human Prostanoid A pEC50 8.25 8.25 8.25 ChEMBL
EP3 PE2R3 Human Prostanoid A pEC50 5.52 5.52 5.52 ChEMBL
EP4 PE2R4 Human Prostanoid A pEC50 9.3 9.3 9.3 ChEMBL