CHEMBL495402


SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
InChIKey PRUISXHHETXRED-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 382.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 8.66 8.81 8.96 ChEMBL
δ OPRD Human Opioid A pIC50 6.62 6.62 6.62 ChEMBL
δ OPRD Human Opioid A pEC50 7.85 7.85 7.85 ChEMBL
κ OPRK Human Opioid A pIC50 8.28 8.28 8.28 ChEMBL
κ OPRK Human Opioid A pEC50 7.75 7.75 7.75 ChEMBL
μ OPRM Human Opioid A pIC50 7.17 7.38 7.6 ChEMBL