Chembl607125


SMILES Cc1ccccc1/C=C/C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey HZDFHSBNWGNVNS-LDHJJSPKSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 444.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 9.4 9.4 9.4 ChEMBL
δ OPRD Human Opioid A pKi 9.96 9.96 9.96 ChEMBL
κ OPRK Human Opioid A pEC50 9.7 9.7 9.7 ChEMBL
κ OPRK Human Opioid A pKi 9.64 9.64 9.64 ChEMBL
μ OPRM Human Opioid A pEC50 10.4 10.4 10.4 ChEMBL
μ OPRM Human Opioid A pKi 9.68 9.68 9.68 ChEMBL