Compound Detail
CHEMBL580847
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Basic Information
| ChEMBL ID | CHEMBL580847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGKUOWSOZHXCPL-UYRXBGFRSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.99
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.9
IC50 1 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.93 | 5.93 | 1180.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.9 | 5.9 | 1258.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1180.0 | nM | 5.93 | Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... | 24813880 |
| Plasmodium falciparum | EC50 | = | 1258.0 | nM | 5.9 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24813880 | 10.1016/j.ejmech.2014.04.076 | No relevant target | 3 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Unchecked | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
| 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