Compound Detail
CHEMBL5274978
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Basic Information
| ChEMBL ID | CHEMBL5274978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBNYAJQFXIRAFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.7
MW (Da)
5.76
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI CHEMBL1857 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | IC50 | = | 340.0 | nM | 6.47 | Inhibition of Staphylococcus aureus ATCC 29213 FabI in the presence of NADH usin... | 32883635 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | IC50 | = | 340.0 | nM | 6.47 | Inhibition of Escherichia coli DH5alpha FabI in the presence of NADH using croto... | 32883635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883635 | 10.1016/j.ejmech.2020.112757 | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine