Compound Detail
CHEMBL398031
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Basic Information
| ChEMBL ID | CHEMBL398031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVBCTALBQBMVOF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.98
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] CHEMBL1849 | IC50 | 5.2 | 5.2 | 6260.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] | IC50 | = | 6260.0 | nM | 5.2 | Inhibition of Mycobacterium tuberculosis InhA | 17723305 |
| Mycobacterium tuberculosis | IC50 | = | 6309.57 | nM | 5.2 | Antitubercular activity against Mycobacterium tuberculosis assessed as growth in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17723305 | 10.1016/j.bmc.2007.08.013 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1 |
| - | 10.1007/s00044-013-0502-y | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine