Compound Detail
CHEMBL4102251
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Basic Information
| ChEMBL ID | CHEMBL4102251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTNUUZSOJHCTAI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
2.60
ALogP
7
HBA
0
HBD
95.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase CHEMBL2242740 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase | Ki | = | 5.0 | nM | 8.3 | Inhibition of Arabidopsis thaliana HPPD expressed in Escherichia coli BL21(DE3) ... | 28128559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28128559 | 10.1021/acs.jmedchem.6b01395 | 4-hydroxyphenylpyruvate dioxygenase | 1 |
Data from ChEMBL 36 via Core Engine