Compound Detail
CHEMBL3342598
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Basic Information
| ChEMBL ID | CHEMBL3342598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHXJSUYRGXKZMF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.8
MW (Da)
3.02
ALogP
7
HBA
1
HBD
90.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase CHEMBL1861 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-hydroxyphenylpyruvate dioxygenase | Ki | = | 22.0 | nM | 7.66 | Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition... | 25182962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25182962 | 10.1016/j.bmc.2014.08.011 | 4-hydroxyphenylpyruvate dioxygenase | 1 |
Data from ChEMBL 36 via Core Engine