Compound Detail
CHEMBL3443508
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Basic Information
| ChEMBL ID | CHEMBL3443508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WINDBSWAPNXROW-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.46
ALogP
6
HBA
1
HBD
63.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histidine--tRNA ligase CHEMBL4662927 | IC50 | 5.75 | 5.66 | 1788.1 | 4 |
| Histidine--tRNA ligase CHEMBL4662925 | IC50 | 5.06 | 5.01 | 8695.9 | 2 |
| Protein translocase subunit SecA CHEMBL4662929 | IC50 | 4.43 | 4.43 | 37342.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histidine--tRNA ligase | IC50 | = | 1788.09 | nM | 5.75 | Leishmania infantum Histidine tRNA synthetase (LdHisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 2069.69 | nM | 5.68 | Leishmania infantum Histidine tRNA synthetase (LdHisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 2445.65 | nM | 5.61 | Leishmania infantum Histidine tRNA synthetase (LdHisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 2487.54 | nM | 5.6 | Leishmania infantum Histidine tRNA synthetase (LdHisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 8695.88 | nM | 5.06 | Trypanosoma cruzi histidyl tRNA synthetase (Tc-HisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 10846.41 | nM | 4.96 | Trypanosoma cruzi histidyl tRNA synthetase (Tc-HisRS) | - |
| Protein translocase subunit SecA | IC50 | = | 37342.52 | nM | 4.43 | Assay to Identify E. coli SecA ATPase Inhibitors | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 8 |
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL3988442 | Ubiquitin-activating enzyme e1, putative | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium berghei | 2 |
| - | 10.6019/CHEMBL3988442 | Protein translocase subunit SecA | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Lysine--tRNA ligase | 2 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 2 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma brucei | 1 |
| - | 10.6019/CHEMBL3988442 | Tryptophan--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 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/CHEMBL3507680 | Unchecked | 1 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | HepG2 | 1 |
| - | 10.6019/CHEMBL3988442 | Methionyl-tRNA synthetase, putative | 1 |
Data from ChEMBL 36 via Core Engine