Compound Detail
CHEMBL2418011
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Basic Information
| ChEMBL ID | CHEMBL2418011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTNKWTDFCSUTHM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
1.83
ALogP
3
HBA
4
HBD
109.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 97.0 | nM | 7.01 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... | 23871911 |
| Plasmodium falciparum | IC50 | = | 121.0 | nM | 6.92 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 23871911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Trypanosoma brucei rhodesiense | 3 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Unchecked | 2 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | L6 | 1 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine