CHEMBL2408018


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1
InChIKey KYKYGQALCGZAPI-KQIHHXPCSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 779.4

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
μ OPRM Rat Opioid A pKi 8.19 8.19 8.19 ChEMBL
δ OPRD Human Opioid A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pIC50 7.87 7.87 7.87 ChEMBL
δ OPRD Human Opioid A pIC50 6.28 6.28 6.28 ChEMBL
δ OPRD Mouse Opioid A pIC50 6.09 6.09 6.09 ChEMBL