Compound Detail
CHEMBL265448
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Basic Information
| ChEMBL ID | CHEMBL265448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPCPIBFZAKSVAX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.48
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI CHEMBL1075044 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 4.37 | 4.37 | 43000.0 | 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 | = | 6800.0 | nM | 5.17 | Inhibition of Bacillus anthracis Enoyl ACP reductase | 18499454 |
| Mitogen-activated protein kinase 14 | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of p38alpha | 19751974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 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 |
| 19751974 | 10.1016/j.bmcl.2009.08.082 | Mitogen-activated protein kinase 14 | 1 |
| 19751974 | 10.1016/j.bmcl.2009.08.082 | Mitogen-activated protein kinase 9 | 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