Compound Detail
CHEMBL3408320
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Basic Information
| ChEMBL ID | CHEMBL3408320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHBKEQCLHHXDSQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
1.51
ALogP
7
HBA
1
HBD
82.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase CHEMBL1861 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL... | 25590863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25590863 | 10.1016/j.ejmech.2015.01.018 | 4-hydroxyphenylpyruvate dioxygenase | 2 |
Data from ChEMBL 36 via Core Engine