Compound Detail
CHEMBL3262109
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Basic Information
| ChEMBL ID | CHEMBL3262109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYZFUVPPBNNXLK-WQRHYEAKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
3.95
ALogP
4
HBA
1
HBD
65.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.1
IC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.59 | 5.59 | 2560.0 | 1 |
| HEK-293T CHEMBL3706568 | EC50 | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2560.0 | nM | 5.59 | Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... | 24813880 |
| HEK-293T | EC50 | = | 79000.0 | nM | 4.1 | Cytotoxicity against HEK293T cells after 48 hrs by MTT assay | 24813880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24813880 | 10.1016/j.ejmech.2014.04.076 | No relevant target | 3 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Unchecked | 3 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Plasmodium falciparum | 1 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | ADMET | 1 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine