Compound Detail
CHEMBL3813987
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Basic Information
| ChEMBL ID | CHEMBL3813987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVWDCAMHHXXWPM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.7
MW (Da)
4.84
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.84 | 5.84 | 1460.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.81 | 4.81 | 15440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 390.0 | nM | 6.41 | Antiplasmodial activity against chloroquine/pyrimethamine resistant Plasmodium f... | 27344215 |
| Trypanosoma brucei rhodesiense | IC50 | = | 1460.0 | nM | 5.84 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 bloods... | 27344215 |
| L6 | IC50 | = | 15440.0 | nM | 4.81 | Cytotoxicity against rat L6 cells assessed as reduction in cell viability after ... | 27344215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27344215 | 10.1016/j.bmc.2016.06.024 | Unchecked | 2 |
| 27344215 | 10.1016/j.bmc.2016.06.024 | Plasmodium falciparum | 1 |
| 27344215 | 10.1016/j.bmc.2016.06.024 | Trypanosoma brucei rhodesiense | 1 |
| 27344215 | 10.1016/j.bmc.2016.06.024 | L6 | 1 |
Data from ChEMBL 36 via Core Engine