Compound Detail
CHEMBL1081522
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Basic Information
| ChEMBL ID | CHEMBL1081522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIUVPUBLZYZZAO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.39
ALogP
4
HBA
6
HBD
157.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Pneumocystis carinii CHEMBL613064 | IC50 | 4.47 | 4.47 | 33700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 21.0 | nM | 7.68 | Antitrypanosomal activity against Multidrug-resistant Trypanosoma brucei rhodesi... | 19736009 |
| Trypanosoma brucei brucei | IC50 | = | 41.0 | nM | 7.39 | Antitrypanosomal activity against pentamidine-sensitive Trypanosoma brucei bruce... | 19736009 |
| Pneumocystis carinii | IC50 | = | 33700.0 | nM | 4.47 | Antipneumocystis activity against Pneumocystis carinii | 19736009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19736009 | 10.1016/j.bmcl.2009.08.073 | Nucleic Acid | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine