CHEMBL14680


SMILES O=C(CSSCC(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CCC1)[C@@H]2C5)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CCC1)[C@@H]2C5
InChIKey KDZXAOMQHWOCNV-NIRISHMOSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 11
Molecular weight (Da) 854.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Bovine Opioid A pIC50 8.71 8.71 8.71 ChEMBL
δ OPRD Human Opioid A pIC50 7.92 7.92 7.92 ChEMBL
κ OPRK Human Opioid A pIC50 8.2 8.2 8.2 ChEMBL