Compound Detail
CHEMBL1873440
MESOTRIONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1873440 |
| Name | MESOTRIONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPUREKXXPHOJQT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
1.12
ALogP
7
HBA
0
HBD
128.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase CHEMBL2242740 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| 4-hydroxyphenylpyruvate dioxygenase CHEMBL5863 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase | Ki | = | 13.0 | nM | 7.89 | Inhibition of Arabidopsis thaliana HPPD expressed in Escherichia coli BL21(DE3) ... | 28128559 |
| 4-hydroxyphenylpyruvate dioxygenase | IC50 | = | 37.0 | nM | 7.43 | Inhibition of Wistar rat liver cytosol HPPD using HPP as substrate assessed as r... | 28128559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21308951 | 10.1002/ps.2100 | Amaranthus tuberculatus | 27 |
| 22718431 | 10.1002/ps.3339 | Brassica rapa subsp. oleifera | 5 |
| 22718431 | 10.1002/ps.3339 | Echinochloa crus-galli | 4 |
| 22718431 | 10.1002/ps.3339 | Digitaria sanguinalis | 2 |
| 22718431 | 10.1002/ps.3339 | Amaranthus retroflexus | 2 |
| 28128559 | 10.1021/acs.jmedchem.6b01395 | 4-hydroxyphenylpyruvate dioxygenase | 2 |
| 28128559 | 10.1021/acs.jmedchem.6b01395 | Plasma | 2 |
| 28128559 | 10.1021/acs.jmedchem.6b01395 | Unchecked | 1 |
| 28128559 | 10.1021/acs.jmedchem.6b01395 | Homo sapiens | 1 |
| 37983010 | 10.1021/acs.jmedchem.3c00281 | Fusobacterium nucleatum | 1 |
Data from ChEMBL 36 via Core Engine