CHEMBL5426012


SMILES CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CCN)cc4ccccc43)CC2)CC1
InChIKey MBGDNZAHCQVNRR-TYKWCNGQSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 367.3

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 9.77 9.77 9.77 ChEMBL
δ OPRD Human Opioid A pKi 6.15 6.15 6.15 ChEMBL
κ OPRK Human Opioid A pKi 7.21 7.21 7.21 ChEMBL
μ OPRM Human Opioid A pKi 8.56 8.56 8.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 8.0 8.0 8.0 ChEMBL
κ OPRK Human Opioid A pEC50 5.96 5.96 5.96 ChEMBL
μ OPRM Human Opioid A pEC50 7.53 7.53 7.53 ChEMBL