Compound Detail
CHEMBL157091
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COc1ccc(C(=O)[C@@H](NC(=O)[C@H](CC2CCCC2)CN(O)C=O)C(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL157091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGMOBZCFZVTRJE-WIYYLYMNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.45
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide deformylase CHEMBL1795101 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide deformylase | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel co... | 14684298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684298 | 10.1016/j.bmcl.2003.10.013 | Peptide deformylase | 1 |
| 14684298 | 10.1016/j.bmcl.2003.10.013 | Escherichia coli | 1 |
| 14684298 | 10.1016/j.bmcl.2003.10.013 | Staphylococcus capitis | 1 |
Data from ChEMBL 36 via Core Engine