Compound Detail
CHEMBL1080611
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Basic Information
| ChEMBL ID | CHEMBL1080611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHTXRTNDGWNFGV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.18
ALogP
4
HBA
2
HBD
105.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 6500.0 | nM | 5.19 | Antitrypanosomal activity against pentamidine-sensitive Trypanosoma brucei bruce... | 19736009 |
| Trypanosoma brucei rhodesiense | IC50 | = | 7900.0 | nM | 5.1 | Antitrypanosomal activity against Multidrug-resistant Trypanosoma brucei rhodesi... | 19736009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19736009 | 10.1016/j.bmcl.2009.08.073 | Trypanosoma brucei brucei | 1 |
| 19736009 | 10.1016/j.bmcl.2009.08.073 | Trypanosoma brucei rhodesiense | 1 |
| 19736009 | 10.1016/j.bmcl.2009.08.073 | Pneumocystis carinii | 1 |
| 19736009 | 10.1016/j.bmcl.2009.08.073 | A549 | 1 |
| 19736009 | 10.1016/j.bmcl.2009.08.073 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine