Compound Detail
CHEMBL602912
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Basic Information
| ChEMBL ID | CHEMBL602912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNAWEZUMHMJQKN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
380.3
MW (Da)
4.70
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.31 | 8.18 | 4.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4.9 | nM | 8.31 | Antimalarial activity against chloroquine/mefloquine-sensitive Plasmodium falcip... | 27544402 |
| Plasmodium falciparum | IC50 | = | 9.0 | nM | 8.05 | Antimalarial activity against trophozoite stage of Plasmodium falciparum 3D7 inf... | 27544402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20097070 | 10.1016/j.bmcl.2010.01.001 | Plasmodium falciparum | 4 |
| 27544402 | 10.1016/j.bmcl.2016.08.005 | Plasmodium falciparum | 3 |
| 20097070 | 10.1016/j.bmcl.2010.01.001 | RAW264.7 | 1 |
| 20097070 | 10.1016/j.bmcl.2010.01.001 | Plasmodium berghei | 1 |
| 20097070 | 10.1016/j.bmcl.2010.01.001 | MDCK | 1 |
| 372527 | 10.1021/jm00190a007 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine