Compound Detail
CHEMBL259223
MENATETRENONE 🧪 Phase III
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🧪 Phase III
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
Basic Information
| ChEMBL ID | CHEMBL259223 |
| Name | MENATETRENONE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | DKHGMERMDICWDU-GHDNBGIDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
8
Known Names
4
Indications
Molecular Properties
444.7
MW (Da)
8.92
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Bone Diseases Osteoporosis Osteoporosis, Postmenopausal Carcinoma, Hepatocellular
ATC Classification
M05BX08
menatetrenone
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: DRUGS FOR TREATMENT OF BONE DISEASES
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Cruzipain CHEMBL3563 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of wild type human alpha-synuclein fibrillization expressed in Escher... | 30743095 |
| Cruzipain | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrat... | 20426472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23327468 | 10.1021/jm301485d | HT-22 | 14 |
| 20426472 | 10.1021/jm100254w | No relevant target | 5 |
| 28225275 | 10.1021/acs.jmedchem.6b01717 | Unchecked | 4 |
| 18171617 | 10.1016/j.bmc.2007.12.025 | Vitamin K-dependent gamma-carboxylase | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 20426472 | 10.1021/jm100254w | Cruzipain | 2 |
| 21561094 | 10.1021/jm200025f | Nuclear receptor subfamily 1 group I member 2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 28947152 | 10.1016/j.bmcl.2017.09.038 | PC-12 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 27955810 | 10.1016/j.bmcl.2016.11.073 | Vitamin K-dependent gamma-carboxylase | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 23327468 | 10.1021/jm301485d | Serine/threonine-protein phosphatase PGAM5, mitochondrial | 1 |
| 23327468 | 10.1021/jm301485d | Dynamin-1-like protein | 1 |
| 37938154 | 10.1021/acs.jnatprod.3c00661 | 20S proteasome | 1 |
| 21618996 | 10.1021/jm200201k | Nuclear receptor subfamily 1 group I member 2 | 1 |
| 21561094 | 10.1021/jm200025f | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine