Compound Detail
CHEMBL290443
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Basic Information
| ChEMBL ID | CHEMBL290443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQIMHQNWXPBVBH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.68
ALogP
7
HBA
4
HBD
132.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.1 | 6.1 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 100.0 | nM | 7.0 | Inhibitory concentration IC50 against Plasmodium falciparum K1 by [3H]hypoxanthi... | 8182707 |
| Jurkat | IC50 | = | 800.0 | nM | 6.1 | Concentration required to reduce the growth of human Jurkat cells to 50% of cont... | 9258370 |
| Jurkat | IC50 | = | 800.0 | nM | 6.1 | Concentration required to reduce growth of human jurkat leukemia cells to 50% of... | 8182707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258370 | 10.1021/jm970232h | Leishmania major | 2 |
| 8182707 | 10.1021/jm00036a014 | Jurkat | 2 |
| 9258370 | 10.1021/jm970232h | No relevant target | 1 |
| 9258370 | 10.1021/jm970232h | Jurkat | 1 |
| 8182707 | 10.1021/jm00036a014 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine