CHEMBL485583


SMILES CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4cccc5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey XNAXOXVMRWBOSY-YDLVXVFUSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 460.2

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
μ OPRM Mouse Opioid A pKi 6.77 6.77 6.77 ChEMBL
κ OPRK Guinea pig Opioid A pKi 8.55 8.55 8.55 ChEMBL
OX1 OX1R Human Orexin A pKi 5.91 5.91 5.91 ChEMBL
μ OPRM Human Opioid A pKi 8.96 8.96 8.96 ChEMBL
δ OPRD Human Opioid A pKi 6.39 6.39 6.39 ChEMBL
κ OPRK Human Opioid A pKi 9.89 9.89 9.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 7.57 7.57 7.57 ChEMBL