Compound Detail
CHEMBL92023
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Basic Information
| ChEMBL ID | CHEMBL92023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXLHLMOTNAPNGK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL458862 |
| Active Moiety | CHEMBL458862 |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.44
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.92 | 5.92 | 1210.0 | 4 |
| MAC15A CHEMBL614121 | IC50 | 5.32 | 5.32 | 4790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1210.0 | nM | 5.92 | In vitro antiplasmodial activity for Plasmodium falciparum | 15801861 |
| Plasmodium falciparum | IC50 | = | 1210.0 | nM | 5.92 | Normalized IC50 as product of antiplasmodial IC50 and vacuolar accumulation IC50 | 15801861 |
| Plasmodium falciparum | IC50 | = | 1210.0 | nM | 5.92 | In vitro antiplasmodial concentration against multidrug-resistant Plasmodium fal... | 15801861 |
| Plasmodium falciparum | IC50 | = | 1210.0 | nM | 5.92 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 18395298 |
| MAC15A | IC50 | = | 4790.0 | nM | 5.32 | Cytotoxicity against MAC15A mouse adenocarcinomas of the colon cells | 15801861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667966 | 10.1021/jm970735n | Mus musculus | 5 |
| 15801861 | 10.1021/jm040893w | Plasmodium falciparum | 5 |
| 15801861 | 10.1021/jm040893w | Mus musculus | 4 |
| 9667966 | 10.1021/jm970735n | 3T3-L1 | 3 |
| 15801861 | 10.1021/jm040893w | MAC15A | 2 |
| 15801861 | 10.1021/jm040893w | Histidine-rich protein PFHRP-II | 1 |
| 15801861 | 10.1021/jm040893w | No relevant target | 1 |
| 18395298 | 10.1016/j.ejmech.2008.02.005 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine