Compound Detail
CHEMBL261420
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Basic Information
| ChEMBL ID | CHEMBL261420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZYZXQLBYSXCSC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.9
MW (Da)
3.76
ALogP
6
HBA
0
HBD
61.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI CHEMBL1075044 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of Bacillus anthracis Enoyl ACP reductase | 18499454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18499454 | 10.1016/j.bmcl.2008.05.004 | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | 1 |
| 18499454 | 10.1016/j.bmcl.2008.05.004 | Bacillus anthracis | 1 |
Data from ChEMBL 36 via Core Engine