Molecule Details
| InChIKey | XGZZHZMWIXFATA-UEZBDDGYSA-N |
|---|---|
| Compound Name | Nalfurafine |
| Canonical SMILES | CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.93 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13471 |
|---|---|
| Drug Name | Nalfurafine |
| CAS Number | 152657-84-6 |
| Groups | investigational |
| ATC Codes | V03AX02 |
| Description | nan |
Categories: Alkaloids Heterocyclic Compounds, Fused-Ring Opiate Alkaloids Phenanthrenes Receptors, Opioid, kappa, agonists
Cross-references: BindingDB: 50325534 ChEBI: 136019 CHEMBL267495 ChemSpider: 4949003 PDB: IVB Wikipedia: Nalfurafine ZINC: ZINC000004393014
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 9.6 | Ki | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL;BindingDB |
| O43613 | HCRTR1 | Homo sapiens | Human | PF00001 | 6.8 | IC50 | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |