Compound Detail
CHEMBL2348824
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Basic Information
| ChEMBL ID | CHEMBL2348824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFCZJGAFQKNSEX-DAXSKMNVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
1.57
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.77 | 5.05 | 1700.0 | 2 |
| Lethal factor CHEMBL4372 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of bacterial L1 expressed in Escherichia coli BL21(DE3) using cefazol... | 29670701 |
| Lethal factor | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Bacillus anthracis anthrax lethal factor using MAPKKide as substra... | 28987611 |
| Unchecked | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of bacterial NDM1 expressed in Escherichia coli BL21(DE3) using cefaz... | 29670701 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29670701 | 10.1021/acsmedchemlett.7b00548 | Unchecked | 8 |
| 23041041 | 10.1016/j.ejmech.2012.09.022 | Mitogen-activated protein kinase kinase kinase 5 | 1 |
| 28987611 | 10.1016/j.ejmech.2017.09.031 | Lethal factor | 1 |
Data from ChEMBL 36 via Core Engine