CHEMBL5413519


SMILES CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CNS(C)(=O)=O)cc4ccccc43)CC2)CC1
InChIKey PDPLZKFHYIQSBG-TYKWCNGQSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 431.3

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 8.38 8.38 8.38 ChEMBL
δ OPRD Human Opioid A pKi 6.86 6.86 6.86 ChEMBL
κ OPRK Human Opioid A pKi 6.75 6.75 6.75 ChEMBL
μ OPRM Human Opioid A pKi 8.6 8.6 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 7.65 7.65 7.65 ChEMBL
δ OPRD Human Opioid A pEC50 6.47 6.47 6.47 ChEMBL
κ OPRK Human Opioid A pEC50 7.16 7.16 7.16 ChEMBL
μ OPRM Human Opioid A pEC50 7.25 7.25 7.25 ChEMBL