Compound Detail
CHEMBL50444
MEGLUTOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL50444 |
| Name | MEGLUTOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NPOAOTPXWNWTSH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
1
Indications
Molecular Properties
162.1
MW (Da)
-0.31
ALogP
3
HBA
3
HBD
94.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Cardiovascular Diseases
ATC Classification
C10AX05
meglutol
Level 1: CARDIOVASCULAR SYSTEM
Level 2: LIPID MODIFYING AGENTS
Activity Summary
IC50 1 meas. best 5.4
Ki 1 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL402 | Ki | 7.63 | 7.63 | 23.5 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL402 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Ki | = | 23.5 | nM | 7.63 | Inhibitory constant against HMG-CoA reductase | 15686898 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory concentration against HMG-CoA reductase | 15686898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7595594 | 10.1021/np50122a023 | Mus musculus | 5 |
| 6196482 | 10.1021/jm00366a020 | Rattus norvegicus | 3 |
| 7595594 | 10.1021/np50122a023 | Homo sapiens | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5096127 | Schistosoma mansoni | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 15686898 | 10.1016/j.bmcl.2004.12.046 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 7595594 | 10.1021/np50122a023 | Artemia | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine