Compound Detail
CHEMBL148515
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Basic Information
| ChEMBL ID | CHEMBL148515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDTZBYPBMTXCSO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
3.18
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI CHEMBL1857 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | Ki | 7.72 | 6.165 | 18.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | Ki | = | 0.5 | nM | 9.3 | Inhibition of wild type Escherichia coli FabI assessed as inhibition of bacteria... | 32883635 |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | Ki | = | 18.9 | nM | 7.72 | Jump dilution assay: 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preinc... | - |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | Ki | = | 24515.0 | nM | 4.61 | Tight-binding assay: Kinetics were performed on a Cary 100 spectrophotometer (Va... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24239015 | 10.1016/j.bmcl.2013.10.069 | Staphylococcus aureus | 5 |
| 26995530 | 10.1016/j.bmcl.2016.03.033 | Staphylococcus aureus | 3 |
| 14736233 | 10.1021/jm030182i | Fatty acid-binding protein, intestinal | 2 |
| 23122868 | 10.1016/j.bmcl.2012.10.052 | Staphylococcus aureus | 2 |
| 14736233 | 10.1021/jm030182i | No relevant target | 1 |
| 14736233 | 10.1021/jm030182i | Escherichia coli | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine