Compound Detail
CHEMBL219858
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Basic Information
| ChEMBL ID | CHEMBL219858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSFNIWNHPMICGL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
1.40
ALogP
3
HBA
3
HBD
65.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Peptide deformylase CHEMBL1795101 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of PDF2 | 17201406 |
| Peptide deformylase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of PDF1B | 17201406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17201406 | 10.1021/jm060910c | Peptide deformylase 1A, chloroplastic/mitochondrial | 1 |
| 17201406 | 10.1021/jm060910c | Peptide deformylase | 1 |
| 17201406 | 10.1021/jm060910c | Unchecked | 1 |
| 17201406 | 10.1021/jm060910c | Escherichia coli | 1 |
| 17201406 | 10.1021/jm060910c | Bacillus subtilis | 1 |
| 17201406 | 10.1021/jm060910c | Peptide deformylase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine