Compound Detail
CHEMBL236160
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Basic Information
| ChEMBL ID | CHEMBL236160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVWVSPGNEFJKCQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.6
MW (Da)
4.06
ALogP
5
HBA
3
HBD
101.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 4000.0 | nM | 5.4 | Growth inhibition against Trypanosoma brucei brucei | 17618122 |
| Leishmania donovani | IC50 | = | 12000.0 | nM | 4.92 | Growth inhibition against Leishmania donovani | 17618122 |
| Vero | IC50 | = | 27000.0 | nM | 4.57 | Toxicity against monkey Vero cells | 17618122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17618122 | 10.1016/j.bmc.2007.06.042 | Tubulin | 2 |
| 17618122 | 10.1016/j.bmc.2007.06.042 | Unchecked | 1 |
| 17618122 | 10.1016/j.bmc.2007.06.042 | Leishmania donovani | 1 |
| 17618122 | 10.1016/j.bmc.2007.06.042 | Trypanosoma brucei brucei | 1 |
| 17618122 | 10.1016/j.bmc.2007.06.042 | Vero | 1 |
Data from ChEMBL 36 via Core Engine