Compound Detail
CHEMBL4754292
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Basic Information
| ChEMBL ID | CHEMBL4754292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFXBBYILQQMVHC-YOEHRIQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.96
ALogP
3
HBA
1
HBD
38.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1600.0 | nM | 5.8 | Inhibition of Trypanosoma brucei PTR1 using H2B as substrate preincubated for 10... | 31982652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31982652 | 10.1016/j.ejmech.2020.112047 | Trypanosoma brucei brucei | 4 |
| 31982652 | 10.1016/j.ejmech.2020.112047 | Unchecked | 3 |
| 31982652 | 10.1016/j.ejmech.2020.112047 | Pteridine reductase 1 | 2 |
Data from ChEMBL 36 via Core Engine