Compound Detail
CHEMBL429994
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL429994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFPUYJPQKQNLPJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.7
MW (Da)
4.61
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] CHEMBL1849 | IC50 | 5.22 | 5.22 | 6050.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.22 | 5.22 | 6025.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] | IC50 | = | 6050.0 | nM | 5.22 | Inhibition of Mycobacterium tuberculosis InhA | 17723305 |
| Mycobacterium tuberculosis | IC50 | = | 6025.6 | nM | 5.22 | 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