Compound Detail
CHEMBL1201149
NALTREXONE HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
Basic Information
| ChEMBL ID | CHEMBL1201149 |
| Name | NALTREXONE HYDROCHLORIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RHBRMCOKKKZVRY-ITLPAZOVSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL19019 |
| Active Moiety | CHEMBL19019 |
3
Targets
4
Activities
1
Assay Types
6
PK Parameters
20
Publications
13
Known Names
9
Indications
1
Mechanisms
Molecular Properties
341.4
MW (Da)
1.53
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1984 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta antagonist | ANTAGONIST | Opioid receptors; mu/kappa/delta | ✓ | ✓ |
Indications
Pain Charcot-Marie-Tooth Disease Chronic Pain Self-Injurious Behavior Amphetamine-Related Disorders Feeding and Eating Disorders Opioid-Related Disorders Opioid-Related Disorders Severe Acute Respiratory Syndrome
Drug Warnings
Black Box Warning
General Warning
Activity Summary
IC50 4 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta CHEMBL2095181 | IC50 | 9.26 | 9.245 | 0.6 | 2 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 6.76 | 6.76 | 174.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.9 | 4.9 | 12589.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 5.5 | nM | Cavia porcellus |
| Ke | 1.0 | nM | Cavia porcellus |
| Ke | 24.0 | nM | - |
| Ke | 37.0 | nM | Cavia porcellus |
| Ke | 1.2 | nM | Cavia porcellus |
| Ke | 69.0 | nM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta | IC50 | = | 0.55 | nM | 9.26 | Displacement of [3H] naloxone from opioid receptor (unknown origin) | 894682 |
| Opioid receptors; mu/kappa/delta | IC50 | = | 0.59 | nM | 9.23 | Displacement of [3H] naloxone from opioid receptor (unknown origin) in presence ... | 894682 |
| Kappa-type opioid receptor | IC50 | = | 174.0 | nM | 6.76 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5058564 | U2OS | 8 |
| 1849995 | 10.1021/jm00108a008 | Mu-type opioid receptor | 4 |
| 1849995 | 10.1021/jm00108a008 | Delta-type opioid receptor | 4 |
| 1849995 | 10.1021/jm00108a008 | Kappa-type opioid receptor | 4 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 4 |
| 894682 | 10.1021/jm00218a023 | Opioid receptors; mu/kappa/delta | 3 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 2 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 2 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| 1849995 | 10.1021/jm00108a008 | Opioid receptors; delta & kappa | 2 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 2 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 2 |
| 1849995 | 10.1021/jm00108a008 | Opioid receptors; mu & kappa | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
Data from ChEMBL 36 via Core Engine