CHEMBL293856


SMILES COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1
InChIKey HPGFXJSSALETIS-UCWXVSLCSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 454.1

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
EP2 PE2R2 Mouse Prostanoid A pKi 5.68 5.68 5.68 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 8.51 8.51 8.51 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 5.92 5.92 5.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Mouse Prostanoid A pEC50 8.51 8.51 8.51 ChEMBL