Compound Detail
CHEMBL117707
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Basic Information
| ChEMBL ID | CHEMBL117707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVBLMQVWQDZIIF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
1.81
ALogP
12
HBA
6
HBD
205.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory activity against Trypanosoma cruzi | 11585449 |
| Trypanosoma brucei rhodesiense | IC50 | = | 13000.0 | nM | 4.89 | Inhibitory activity against T.b. rhodesiense | 11585449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585449 | 10.1021/jm010854+ | Trypanosoma brucei rhodesiense | 1 |
| 11585449 | 10.1021/jm010854+ | ADMET | 1 |
| 11585449 | 10.1021/jm010854+ | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine