Compound Detail
CHEMBL3457622
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Basic Information
| ChEMBL ID | CHEMBL3457622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGGANUMOZVJEPK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.48
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wolbachia pipientis CHEMBL4649981 | IC50 | 6.47 | 6.075 | 339.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wolbachia pipientis | IC50 | = | 339.79 | nM | 6.47 | Anti-Wolbachia Cell-Based Screen | - |
| Wolbachia pipientis | IC50 | = | 2074.19 | nM | 5.68 | Anti-Wolbachia Cell-Based Screen | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL3988442 | Wolbachia pipientis | 3 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium berghei | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 2 |
| - | 10.6019/CHEMBL3988442 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 1 |
| - | 10.6019/CHEMBL3507680 | Unchecked | 1 |
| - | 10.6019/CHEMBL3988442 | Tryptophan--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 1 |
| - | 10.6019/CHEMBL3988442 | Polyketide synthase Pks13 | 1 |
| - | 10.6019/CHEMBL3988442 | Leishmania donovani | 1 |
| - | 10.6019/CHEMBL3988442 | Coenzyme A biosynthesis bifunctional protein CoaBC | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma brucei | 1 |
| - | 10.6019/CHEMBL3988442 | Lysine--tRNA ligase | 1 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | HepG2 | 1 |
| - | 10.6019/CHEMBL3988442 | Methionyl-tRNA synthetase, putative | 1 |
Data from ChEMBL 36 via Core Engine