CHEMBL393960


SMILES COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1
InChIKey RYRWIHMMTQHAQP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 11
Molecular weight (Da) 511.3

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 9.0 9.0 9.0 ChEMBL
κ OPRK Guinea pig Opioid A pKi 6.78 6.78 6.78 ChEMBL
δ OPRD Human Opioid A pKi 5.79 5.79 5.79 ChEMBL
μ OPRM Human Opioid A pKi 7.57 7.57 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 7.38 7.38 7.38 ChEMBL