CHEMBL4460695


SMILES CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(N)=S)c4ccccc43)CC2)CC1
InChIKey BTZMBSYIWRQRBI-PUZFROQSSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 412.3

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 7.98 7.98 7.98 ChEMBL
δ OPRD Human Opioid A pKi 5.39 5.39 5.39 ChEMBL
κ OPRK Human Opioid A pKi 5.88 5.88 5.88 ChEMBL
μ OPRM Human Opioid A pKi 7.15 7.15 7.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 6.46 6.46 6.46 ChEMBL