Compound Detail
CHEMBL1186579
METHYLNALTREXONE 💊 Approved Drug
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💊 Approved Drug
C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
Basic Information
| ChEMBL ID | CHEMBL1186579 |
| Name | METHYLNALTREXONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JVLBPIPGETUEET-GAAHOAFPSA-O |
| Therapeutic | ✓ Yes |
4
Targets
9
Activities
3
Assay Types
8
PK Parameters
20
Publications
4
Known Names
9
Indications
Molecular Properties
356.4
MW (Da)
1.67
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2008 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Constipation Enteral Nutrition Ileus Gastroparesis Pancreatitis Intestinal Obstruction Kidney Diseases Liver Diseases Opioid-Related Disorders
Activity Summary
Ki 7 meas. best 8.26
EC50 1 meas. best 8.17
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.26 | 8.12 | 5.5 | 3 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 8.17 | 8.17 | 6.7 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.49 | 7.49 | 32.1 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.3 | 5.88 | 501.2 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 22.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 32.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 140.0 | nM | Homo sapiens |
| MRT | 2.0 | hr | Homo sapiens |
| T1/2 | 2.5 | hr | Homo sapiens |
| T1/2 | 1.5 | hr | Rattus norvegicus |
| T1/2 | 1.5 | hr | Canis lupus familiaris |
| T1/2 | 1.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine