Compound Detail
CHEMBL3401420
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Basic Information
| ChEMBL ID | CHEMBL3401420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFAWLHYWYWCIQO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL216966 |
| Active Moiety | CHEMBL216966 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
6.24
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 65.0 | nM | 7.19 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 bloodst... | 25746816 |
| Plasmodium falciparum | IC50 | = | 460.0 | nM | 6.34 | Antiplasmodial activity against chloroquine and pyrimethamine resistant Plasmodi... | 25746816 |
| L6 | IC50 | = | 8100.0 | nM | 5.09 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 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