Compound Detail
CHEMBL4162007
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Basic Information
| ChEMBL ID | CHEMBL4162007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXCNLBOWURGQPC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.8
MW (Da)
5.96
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.64
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.31
Ki 1 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] CHEMBL1849 | Ki | 9.02 | 9.02 | 1.0 | 1 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] CHEMBL1849 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] | Ki | = | 0.96 | nM | 9.02 | Inhibition of Mycobacterium tuberculosis InhA | 29407960 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] | IC50 | = | 49.0 | nM | 7.31 | Inhibition of Mycobacterium tuberculosis InhA | 29407960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407960 | 10.1016/j.ejmech.2018.01.047 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 3 |
| 29407960 | 10.1016/j.ejmech.2018.01.047 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine