CHEMBL2112374


SMILES N=C(N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5
InChIKey FKUYTFLABOWAOR-NZHOUOPXSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 6
Rotatable bonds 4
Molecular weight (Da) 485.2

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
κ OPRK Rat Opioid A pKi 9.13 9.13 9.13 ChEMBL
μ OPRM Rat Opioid A pKi 7.18 7.18 7.18 ChEMBL
κ OPRK Human Opioid A pKi 9.74 9.74 9.74 ChEMBL
μ OPRM Human Opioid A pKi 7.43 7.43 7.43 ChEMBL
δ OPRD Human Opioid A pKi 7.16 7.16 7.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database