Compound Detail
CHEMBL2032140
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O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccncc1
Basic Information
| ChEMBL ID | CHEMBL2032140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODZRPFPJLJDKLB-UXHICEINSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
1.49
ALogP
6
HBA
3
HBD
131.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide deformylase CHEMBL2029196 | IC50 | 9.46 | 9.46 | 0.3 | 1 |
| Peptide deformylase CHEMBL2010635 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide deformylase | IC50 | = | 0.35 | nM | 9.46 | Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS... | 22579486 |
| Peptide deformylase | IC50 | = | 1.7 | nM | 8.77 | Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS pe... | 22579486 |
| Unchecked | IC50 | = | 4.4 | nM | 8.36 | Inhibition of Haemophilus influenzae PDF assessed as formate release from fMAS p... | 22579486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22579486 | 10.1016/j.bmcl.2012.04.086 | Peptide deformylase | 2 |
| 22579486 | 10.1016/j.bmcl.2012.04.086 | Staphylococcus aureus | 1 |
| 22579486 | 10.1016/j.bmcl.2012.04.086 | Streptococcus pneumoniae | 1 |
| 22579486 | 10.1016/j.bmcl.2012.04.086 | Haemophilus influenzae | 1 |
| 22579486 | 10.1016/j.bmcl.2012.04.086 | Moraxella catarrhalis | 1 |
| 22579486 | 10.1016/j.bmcl.2012.04.086 | Enterococcus faecalis | 1 |
| 22579486 | 10.1016/j.bmcl.2012.04.086 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine