CHEMBL2112373


SMILES N=C(N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5
InChIKey YSIUMFNOOTZOEV-KFDULEKRSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 6
Rotatable bonds 5
Molecular weight (Da) 499.3

Drug properties

Molecular type Small molecule
Endogenous/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 9.29 9.29 9.29 ChEMBL
μ OPRM Rat Opioid A pKi 7.48 7.48 7.48 ChEMBL
δ OPRD Human Opioid A pKi 8.31 8.31 8.31 ChEMBL
κ OPRK Human Opioid A pKi 9.31 9.31 9.31 ChEMBL
μ OPRM Human Opioid A pKi 8.24 8.24 8.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database