CHEMBL5407403


SMILES CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CNC(=O)c4cccnc4)cc4ccccc43)CC2)CC1
InChIKey QTTZYJWQRRKUIV-WZJNIGMMSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 458.3

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
NOP OPRX Human Opioid A pKi 9.12 9.12 9.12 ChEMBL
δ OPRD Human Opioid A pKi 7.18 7.18 7.18 ChEMBL
κ OPRK Human Opioid A pKi 6.95 6.95 6.95 ChEMBL
μ OPRM Human Opioid A pKi 8.27 8.27 8.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 7.71 7.71 7.71 ChEMBL
δ OPRD Human Opioid A pEC50 6.71 6.71 6.71 ChEMBL
κ OPRK Human Opioid A pEC50 7.11 7.11 7.11 ChEMBL
μ OPRM Human Opioid A pEC50 7.37 7.37 7.37 ChEMBL