Compound Detail
CHEMBL1078223
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Basic Information
| ChEMBL ID | CHEMBL1078223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYGRKKGUJBXSKW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
2.02
ALogP
4
HBA
4
HBD
144.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.71 | 5.71 | 1970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 1970.0 | nM | 5.71 | 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