Compound Detail
CHEMBL4753331
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Basic Information
| ChEMBL ID | CHEMBL4753331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHXVBYKGASDKAT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
1.23
ALogP
6
HBA
2
HBD
96.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 800.0 | nM | 6.1 | 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 | 1 |
| 31982652 | 10.1016/j.ejmech.2020.112047 | Pteridine reductase 1 | 1 |
Data from ChEMBL 36 via Core Engine