CHEMBL62779


SMILES COCCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1
InChIKey HZJSPYQACNBFBE-PKELSGCASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 14
Molecular weight (Da) 468.2

Drug properties

Molecular type Small molecule
Endogenous/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 5.51 5.51 5.51 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 8.07 8.07 8.07 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 5.52 5.52 5.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Mouse Prostanoid A pEC50 7.92 7.92 7.92 ChEMBL