Compound Detail
CHEMBL2178289
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Basic Information
| ChEMBL ID | CHEMBL2178289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRIHADBFHMLZBI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
2.86
ALogP
4
HBA
2
HBD
68.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | IC50 | 7.25 | 7.25 | 56.0 | 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 | = | 56.0 | nM | 7.25 | Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-ac... | 23092194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 23092194 | 10.1021/jm301113w | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | 1 |
| 23092194 | 10.1021/jm301113w | Streptococcus pneumoniae | 1 |
| 23092194 | 10.1021/jm301113w | Enterococcus faecalis | 1 |
| 23092194 | 10.1021/jm301113w | Escherichia coli | 1 |
| 23092194 | 10.1021/jm301113w | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513161 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513161 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513161 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513161 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513161 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513161 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513161 | Erythrocyte | 1 |
| - | 10.6019/CHEMBL4513161 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine