Compound Detail
CHEMBL72081
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Basic Information
| ChEMBL ID | CHEMBL72081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCMUIMGDWQTXFV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
166.2
MW (Da)
1.19
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase CHEMBL3203 | IC50 | 7.16 | 7.1567 | 70.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase | IC50 | = | 70.0 | nM | 7.16 | Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate... | 12161114 |
| 4-hydroxyphenylpyruvate dioxygenase | IC50 | = | 70.0 | nM | 7.16 | Inhibition of pig liver HPPD using 4-hydroxyphenylpyruvic acid as substrate afte... | 28128559 |
| 4-hydroxyphenylpyruvate dioxygenase | IC50 | = | 70.79 | nM | 7.15 | Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate... | 12161114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161114 | 10.1016/s0960-894x(02)00432-8 | 4-hydroxyphenylpyruvate dioxygenase | 2 |
| 28128559 | 10.1021/acs.jmedchem.6b01395 | 4-hydroxyphenylpyruvate dioxygenase | 1 |
Data from ChEMBL 36 via Core Engine