Compound Detail
CHEMBL3488102
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Basic Information
| ChEMBL ID | CHEMBL3488102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHXIWTLXVHWVLB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.24
ALogP
4
HBA
1
HBD
58.0
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis variant bovis CHEMBL613086 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.26 | 5.1 | 5531.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis variant bovis | IC50 | = | 2511.89 | nM | 5.6 | GSK_TB: Effect of compound calculated as % inhibition at single shot or pIC50 ( ... | - |
| Unchecked | IC50 | = | 5531.37 | nM | 5.26 | Phenotypic growth assay for Mycobacterium tuberculosis grown for 4 days on DPPC,... | - |
| Unchecked | IC50 | = | 11435.24 | nM | 4.94 | Phenotypic growth assay for Mycobacterium tuberculosis grown for 3 days on 7H9, ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 5 |
| - | 10.6019/CHEMBL3637782 | Mycobacterium tuberculosis H37Rv | 3 |
| - | 10.6019/CHEMBL3637782 | No relevant target | 3 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium berghei | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 2 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3988442 | Tryptophan--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | Coenzyme A biosynthesis bifunctional protein CoaBC | 1 |
| - | 10.6019/CHEMBL3988442 | Leishmania donovani | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma brucei | 1 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 1 |
| - | 10.6019/CHEMBL3988442 | Polyketide synthase Pks13 | 1 |
| - | 10.6019/CHEMBL3988442 | Lysine--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3637782 | HepG2 | 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