Compound Detail
CHEMBL34804
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Basic Information
| ChEMBL ID | CHEMBL34804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXSMSFJTPKZXSV-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
4.36
ALogP
5
HBA
3
HBD
80.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.4 | 7.142 | 40.0 | 5 |
| Leishmania major CHEMBL612879 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 40.0 | nM | 7.4 | Inhibitory concentration IC50 against Plasmodium falciparum K1 by [3H]hypoxanthi... | 8182707 |
| Plasmodium falciparum | IC50 | = | 40.0 | nM | 7.4 | Inhibitory concentration against Plasmodium falciparum K1 infected erythrocytes | 8182707 |
| Plasmodium falciparum | IC50 | = | 40.0 | nM | 7.4 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 18395298 |
| Plasmodium falciparum | IC50 | = | 113.0 | nM | 6.95 | Inhibitory concentration against Plasmodium falciparum D6 infected erythrocytes | 8182707 |
| Plasmodium falciparum | IC50 | = | 277.0 | nM | 6.56 | Inhibitory concentration against Plasmodium falciparum W2 infected erythrocytes | 8182707 |
| Leishmania major | IC50 | = | 5000.0 | nM | 5.3 | Concentration required to reduce incorporation of [3H]TdR in drug-treated cultur... | 9258370 |
| Jurkat | IC50 | = | 12000.0 | nM | 4.92 | Concentration required to reduce the growth of human Jurkat cells to 50% of cont... | 9258370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8182707 | 10.1021/jm00036a014 | Plasmodium falciparum | 4 |
| 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 | DNA topoisomerase II | 1 |
| 8182707 | 10.1021/jm00036a014 | DNA topoisomerase 2 | 1 |
| 18395298 | 10.1016/j.ejmech.2008.02.005 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine