Compound Detail
CHEMBL290441
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Basic Information
| ChEMBL ID | CHEMBL290441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFOURUDCCXDEKT-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
5.19
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.82 | 6.42 | 150.0 | 3 |
| Leishmania major CHEMBL612879 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.12 | 5.12 | 7500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 150.0 | nM | 6.82 | Inhibitory concentration IC50 against Plasmodium falciparum K1 by [3H]hypoxanthi... | 8182707 |
| Plasmodium falciparum | IC50 | = | 600.0 | nM | 6.22 | Antimalarial activity against Plasmodium falciparum KT3 gametocytes | 23075290 |
| Plasmodium falciparum | IC50 | = | 600.0 | nM | 6.22 | Antimalarial activity against Plasmodium falciparum KT1 gametocytes | 23075290 |
| Leishmania major | IC50 | = | 1000.0 | nM | 6.0 | Concentration required to reduce incorporation of [3H]TdR in drug-treated cultur... | 9258370 |
| Jurkat | IC50 | = | 7500.0 | nM | 5.12 | Concentration required to reduce the growth of human Jurkat cells to 50% of cont... | 9258370 |
| Jurkat | IC50 | = | 7500.0 | nM | 5.12 | 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 |
| 23075290 | 10.1021/jm3005898 | Plasmodium falciparum | 2 |
| 9258370 | 10.1021/jm970232h | No relevant target | 1 |
| 9258370 | 10.1021/jm970232h | Jurkat | 1 |
| 7120279 | 10.1021/jm00350a004 | L1210 | 1 |
| 8182707 | 10.1021/jm00036a014 | Plasmodium falciparum | 1 |
| 7069706 | 10.1021/jm00345a015 | L1210 | 1 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 37542989 | 10.1016/j.ejmech.2023.115684 | Lysine-specific histone demethylase 1A | 1 |
Data from ChEMBL 36 via Core Engine