CHEMBL3753622


SMILES O=C(O)c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCc3ccccc3)CCC2)n1
InChIKey HGTLOKDXNMQMEE-QWCIBIBSSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 488.1

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 Human Prostanoid A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Human Prostanoid A pEC50 6.33 6.33 6.33 ChEMBL
EP2 PE2R2 Human Prostanoid A pEC50 6.8 6.8 6.8 ChEMBL
EP3 PE2R3 Human Prostanoid A pEC50 7.57 7.57 7.57 ChEMBL