nalfurafine


SMILES CN([C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)C(=O)/C=C/c1ccoc1
InChIKey XGZZHZMWIXFATA-UEZBDDGYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 476.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7YIT

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKd 10.1 10.1 10.1 Guide to Pharmacology
κ OPRK Mouse Opioid A pKi 9.75 9.75 9.75 ChEMBL
μ OPRM Mouse Opioid A pKi 7.29 9.0 9.37 ChEMBL
δ OPRD Mouse Opioid A pKi 7.01 7.23 7.29 ChEMBL
κ OPRK Guinea pig Opioid A pKi 9.64 9.71 9.77 ChEMBL
δ OPRD Human Opioid A pKi 6.16 6.8 7.44 ChEMBL
κ OPRK Human Opioid A pKi 6.77 9.28 10.72 ChEMBL
μ OPRM Human Opioid A pKi 8.22 8.69 9.15 ChEMBL
κ OPRK Human Opioid A pKi 8.02 8.02 8.02 Drug Central
NOP OPRX Human Opioid A pKi 8.17 8.17 8.17 Drug Central
δ OPRD Mouse Opioid A pKi 8.14 8.14 8.14 Drug Central
κ OPRK Mouse Opioid A pKi 8.01 8.01 8.01 Drug Central
κ OPRK Guinea pig Opioid A pKi 8.01 8.01 8.01 Drug Central
μ OPRM Mouse Opioid A pKi 8.03 8.03 8.03 Drug Central
OX1 OX1R Human Orexin A pKi 8.18 8.18 8.18 Drug Central
OX1 OX1R Human Orexin A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 9.38 9.38 9.38 ChEMBL
δ OPRD Human Opioid A pEC50 7.13 7.13 7.13 ChEMBL
κ OPRK Human Opioid A pEC50 6.96 9.58 10.6 ChEMBL
μ OPRM Human Opioid A pEC50 8.77 8.96 9.14 ChEMBL
δ OPRD Human Opioid A pEC50 8.15 8.15 8.15 Drug Central
μ OPRM Human Opioid A pEC50 8.04 8.04 8.04 Drug Central
κ OPRK Rat Opioid A pEC50 8.03 8.03 8.03 Drug Central
κ OPRK Rat Opioid A pEC50 8.28 8.79 9.3 ChEMBL