Compound Detail
CHEMBL395170
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Basic Information
| ChEMBL ID | CHEMBL395170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJUHACUYECLPGK-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
166.1
MW (Da)
-0.84
ALogP
5
HBA
4
HBD
116.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.04
Kd 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.0 | 7.0 | 100.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.04 | 4.7933 | 9030.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 100.0 | nM | 7.0 | Binding affinity to guanine riboswitch in Bacillus subtilis | 25603286 |
| Plasmodium falciparum | IC50 | = | 9030.0 | nM | 5.04 | Antimalarial activity against chloroquine,pyrimethamine-resistant Plasmodium fal... | 17548196 |
| Plasmodium falciparum | IC50 | = | 16790.0 | nM | 4.78 | Antimalarial activity against chloroquine, pyrimethamine and cycloguanil-resista... | 17548196 |
| Plasmodium falciparum | IC50 | = | 27770.0 | nM | 4.56 | Antimalarial activity against drug-sensitive Plasmodium falciparum 3D7 after 24 ... | 17548196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 25603286 | 10.1021/jm500868e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine