Compound Detail
CHEMBL3113733
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Basic Information
| ChEMBL ID | CHEMBL3113733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJTSKXLTOJDTEI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.11
ALogP
3
HBA
3
HBD
69.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 2200.0 | nM | 5.66 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assesse... | 24398295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24398295 | 10.1016/j.bmcl.2013.12.064 | L6 | 1 |
| 24398295 | 10.1016/j.bmcl.2013.12.064 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine