CHEMBL4591048


SMILES CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCNC(N)=S)c4ccccc43)CC2)CC1
InChIKey NBGHZUOQLIHUSD-GRGXKFILSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 440.3

Drug properties

Molecular type Small molecule
Endogenous/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 7.5 7.5 7.5 ChEMBL
κ OPRK Human Opioid A pKi 6.08 6.08 6.08 ChEMBL
μ OPRM Human Opioid A pKi 6.42 6.42 6.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 6.76 6.76 6.76 ChEMBL