Compound Detail
CHEMBL218819
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Basic Information
| ChEMBL ID | CHEMBL218819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAPJLBRICCNLJH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.02
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide deformylase CHEMBL1795101 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Peptide deformylase 1A, chloroplastic/mitochondrial CHEMBL1075041 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide deformylase | IC50 | = | 44.0 | nM | 7.36 | Inhibition of PDF1B | 17201406 |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of PDF2 | 17201406 |
| Peptide deformylase 1A, chloroplastic/mitochondrial | IC50 | = | 83000.0 | nM | 4.08 | Inhibition of Arabidopsis thaliana mitochondrial PDF1A | 17201406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17201406 | 10.1021/jm060910c | Bacillus subtilis | 5 |
| 17201406 | 10.1021/jm060910c | Escherichia coli | 3 |
| 17201406 | 10.1021/jm060910c | Peptide deformylase, mitochondrial | 1 |
| 17201406 | 10.1021/jm060910c | Peptide deformylase 1A, chloroplastic/mitochondrial | 1 |
| 17201406 | 10.1021/jm060910c | Peptide deformylase | 1 |
| 17201406 | 10.1021/jm060910c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine