CHEMBL5201437


SMILES CCOC(=O)[C@]12C[C@@H]1[C@@H](n1ccc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O
InChIKey PNWKLDPCWUUNTL-WNQRMCIFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 472.1

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
δ OPRD Human Opioid A pKi 6.11 6.11 6.11 ChEMBL
A3 AA3R Human Adenosine A pKi 6.35 6.35 6.35 ChEMBL
κ OPRK Human Opioid A pKi 7.38 7.38 7.38 ChEMBL
μ OPRM Human Opioid A pKi 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database