Compound Detail
CHEMBL4753514
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Basic Information
| ChEMBL ID | CHEMBL4753514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCQDLDIWEUCXTD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2046893 |
| Active Moiety | CHEMBL2046893 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
5.33
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.61
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.61 | 5.61 | 2450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2200.0 | nM | 5.66 | Inhibition of Trypanosoma brucei PTR1 using H2B as substrate preincubated for 10... | 31982652 |
| Trypanosoma brucei brucei | IC50 | = | 2450.0 | nM | 5.61 | Antitrypanosomal activity against bloodstream form of trypanosoma brucei brucei ... | 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