CHEMBL1929540


SMILES CCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)O)c1
InChIKey MYRBEESOULJTOW-WARJXXDVSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 423.2

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 5.34 5.34 5.34 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 7.19 7.19 7.19 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 9.06 9.06 9.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Rat Prostanoid A pEC50 8.72 8.72 8.72 ChEMBL