CHEMBL5394355


SMILES CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CNC(=O)c4ccc(C(F)(F)F)o4)cc4ccccc43)CC2)CC1
InChIKey MPJOIXWGAIBSAW-GRGXKFILSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 515.3

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 8.47 8.47 8.47 ChEMBL
δ OPRD Human Opioid A pKi 7.2 7.2 7.2 ChEMBL
κ OPRK Human Opioid A pKi 6.6 6.6 6.6 ChEMBL
μ OPRM Human Opioid A pKi 7.82 7.82 7.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 7.26 7.26 7.26 ChEMBL
δ OPRD Human Opioid A pEC50 6.3 6.3 6.3 ChEMBL
μ OPRM Human Opioid A pEC50 7.22 7.22 7.22 ChEMBL