Compound Detail
CHEMBL494057
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Basic Information
| ChEMBL ID | CHEMBL494057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGAYEVRMBWNBAW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.0
MW (Da)
6.43
ALogP
4
HBA
2
HBD
41.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.2 | 6.565 | 63.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 63.5 | nM | 7.2 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D10 as... | 18562202 |
| Plasmodium falciparum | IC50 | = | 1176.1 | nM | 5.93 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 as ... | 18562202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18562202 | 10.1016/j.bmc.2008.05.068 | Plasmodium falciparum | 4 |
| 18562202 | 10.1016/j.bmc.2008.05.068 | ADMET | 2 |
| 18562202 | 10.1016/j.bmc.2008.05.068 | K562 | 1 |
| 18562202 | 10.1016/j.bmc.2008.05.068 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine