Compound Detail
CHEMBL3401413
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Basic Information
| ChEMBL ID | CHEMBL3401413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSBZSEHDOPSNEN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL385202 |
| Active Moiety | CHEMBL385202 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.46
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.44 | 4.44 | 36600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 13000.0 | nM | 4.89 | Antiplasmodial activity against chloroquine and pyrimethamine resistant Plasmodi... | 25746816 |
| Trypanosoma brucei rhodesiense | IC50 | = | 36600.0 | nM | 4.44 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 bloodst... | 25746816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25746816 | 10.1016/j.bmcl.2015.02.044 | Unchecked | 2 |
| 25746816 | 10.1016/j.bmcl.2015.02.044 | L6 | 1 |
| 25746816 | 10.1016/j.bmcl.2015.02.044 | Plasmodium falciparum | 1 |
| 25746816 | 10.1016/j.bmcl.2015.02.044 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine