Compound Detail
CHEMBL36404
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Basic Information
| ChEMBL ID | CHEMBL36404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXRGCPUWFIONHC-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
396.3
MW (Da)
6.50
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.6 | 6.4 | 250.0 | 3 |
| Leishmania major CHEMBL612879 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.3 | 5.3 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 250.0 | nM | 6.6 | Inhibitory concentration IC50 against Plasmodium falciparum K1 by [3H]hypoxanthi... | 8182707 |
| Plasmodium falciparum | IC50 | = | 250.0 | nM | 6.6 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 18395298 |
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
| Leishmania major | IC50 | = | 2000.0 | nM | 5.7 | Concentration required to reduce incorporation of [3H]TdR in drug-treated cultur... | 9258370 |
| Jurkat | IC50 | = | 5000.0 | nM | 5.3 | Concentration required to reduce the growth of human Jurkat cells to 50% of cont... | 9258370 |
| Jurkat | IC50 | = | 5000.0 | nM | 5.3 | 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 |
| 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