Compound Detail
CHEMBL397824
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Basic Information
| ChEMBL ID | CHEMBL397824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFFGTXCRIHHQGF-KQYNXXCUSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
-2.67
ALogP
11
HBA
5
HBD
168.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.54 | 5.8733 | 290.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 290.0 | nM | 6.54 | Antimalarial activity against chloroquine, pyrimethamine and cycloguanil-resista... | 17548196 |
| Plasmodium falciparum | IC50 | = | 2270.0 | nM | 5.64 | Antimalarial activity against drug-sensitive Plasmodium falciparum 3D7 after 24 ... | 17548196 |
| Plasmodium falciparum | IC50 | = | 3600.0 | nM | 5.44 | Antimalarial activity against chloroquine,pyrimethamine-resistant Plasmodium fal... | 17548196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17548196 | 10.1016/j.bmc.2007.05.038 | Plasmodium berghei | 4 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | Plasmodium falciparum | 3 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | Unchecked | 3 |
| 17548196 | 10.1016/j.bmc.2007.05.038 | KB | 1 |
| 18180344 | 10.1128/aac.01056-07 | ADMET | 1 |
| 18180344 | 10.1128/aac.01056-07 | Enterovirus C | 1 |
| 18180344 | 10.1128/aac.01056-07 | Coxsackievirus | 1 |
Data from ChEMBL 36 via Core Engine