Compound Detail
CHEMBL191789
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Basic Information
| ChEMBL ID | CHEMBL191789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZMGDMDJNRYIHC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL457990 |
| Active Moiety | CHEMBL457990 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.2
MW (Da)
4.37
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 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.58 | 6.58 | 260.0 | 2 |
| MAC15A CHEMBL614121 | IC50 | 5.28 | 5.28 | 5210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 260.0 | nM | 6.58 | In vitro antiplasmodial activity for Plasmodium falciparum | 15801861 |
| Plasmodium falciparum | IC50 | = | 260.0 | nM | 6.58 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 18395298 |
| MAC15A | IC50 | = | 5210.0 | nM | 5.28 | Cytotoxicity against MAC15A mouse adenocarcinomas of the colon cells | 15801861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801861 | 10.1021/jm040893w | MAC15A | 2 |
| 15801861 | 10.1021/jm040893w | Plasmodium falciparum | 1 |
| 18395298 | 10.1016/j.ejmech.2008.02.005 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine