Compound Detail
CHEMBL3457999
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Basic Information
| ChEMBL ID | CHEMBL3457999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVOYQGMLJUEOJA-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
1.91
ALogP
5
HBA
1
HBD
85.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histidine--tRNA ligase CHEMBL4662927 | IC50 | 6.07 | 5.9325 | 847.2 | 4 |
| Histidine--tRNA ligase CHEMBL4662925 | IC50 | 4.71 | 4.69 | 19572.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histidine--tRNA ligase | IC50 | = | 847.23 | nM | 6.07 | Leishmania infantum Histidine tRNA synthetase (LdHisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 943.73 | nM | 6.03 | Leishmania infantum Histidine tRNA synthetase (LdHisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 1368.83 | nM | 5.86 | Leishmania infantum Histidine tRNA synthetase (LdHisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 1705.08 | nM | 5.77 | Leishmania infantum Histidine tRNA synthetase (LdHisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 19572.9 | nM | 4.71 | Trypanosoma cruzi histidyl tRNA synthetase (Tc-HisRS) | - |
| Histidine--tRNA ligase | IC50 | = | 21500.73 | nM | 4.67 | Trypanosoma cruzi histidyl tRNA synthetase (Tc-HisRS) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 8 |
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium berghei | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Lysine--tRNA ligase | 2 |
| - | 10.6019/CHEMBL3988442 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 1 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma brucei | 1 |
| - | 10.6019/CHEMBL3988442 | Coenzyme A biosynthesis bifunctional protein CoaBC | 1 |
| - | 10.6019/CHEMBL3988442 | Polyketide synthase Pks13 | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3988442 | Tryptophan--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | Leishmania donovani | 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