Compound Detail
CHEMBL490665
NALFURAFINE HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl
Basic Information
| ChEMBL ID | CHEMBL490665 |
| Name | NALFURAFINE HYDROCHLORIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | DJSFYNINGIMKAG-FQJQBBMWSA-N |
| Parent Compound | CHEMBL267495 |
| Active Moiety | CHEMBL267495 |
11
Targets
34
Activities
4
Assay Types
6
PK Parameters
20
Publications
5
Known Names
2
Indications
1
Mechanisms
Molecular Properties
476.6
MW (Da)
3.09
ALogP
6
HBA
2
HBD
86.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2009 |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Kappa opioid receptor agonist | AGONIST | Kappa-type opioid receptor | ✓ | ✓ |
Indications
Liver Diseases Kidney Failure, Chronic
Activity Summary
Ki 22 meas. best 9.75
EC50 6 meas. best 10.3
IC50 3 meas. best 9.38
Kd 3 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | EC50 | 10.3 | 10.3 | 0.1 | 1 |
| Kappa-type opioid receptor CHEMBL4329 | Ki | 9.75 | 9.75 | 0.2 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.75 | 9.72 | 0.2 | 5 |
| Kappa-type opioid receptor CHEMBL237 | Kd | 9.72 | 9.72 | 0.2 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.62 | 9.62 | 0.2 | 1 |
| Kappa-type opioid receptor CHEMBL4329 | EC50 | 9.59 | 9.59 | 0.3 | 1 |
| Kappa-type opioid receptor CHEMBL4329 | IC50 | 9.38 | 9.38 | 0.4 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 9.37 | 9.305 | 0.4 | 2 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 9.37 | 8.926 | 0.4 | 5 |
| Mu-type opioid receptor CHEMBL2858 | EC50 | 9.28 | 9.28 | 0.5 | 1 |
| Mu-type opioid receptor CHEMBL233 | Kd | 9.14 | 9.14 | 0.7 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.77 | 8.77 | 1.7 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 7.29 | 7.22 | 51.3 | 4 |
| Unchecked CHEMBL612545 | Ki | 7.01 | 7.01 | 96.5 | 1 |
| Delta-type opioid receptor CHEMBL236 | Kd | 6.94 | 6.94 | 115.9 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 6.85 | 6.85 | 141.4 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.16 | 6.16 | 693.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 14000.0 | nM | Mus musculus |
| Ke | 41.6 | nM | Mus musculus |
| Ke | 0.16 | nM | Mus musculus |
| Ke | 0.07 | nM | Cavia porcellus |
| Ke | 5.5 | nM | Cavia porcellus |
| Ke | 48.0 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine