Compound Detail
CHEMBL2032137
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2032137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLBNIMBVLSGXDC-RTWAWAEBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
2.09
ALogP
5
HBA
3
HBD
119.0
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 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide deformylase CHEMBL2029196 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
| Peptide deformylase CHEMBL2010635 | IC50 | 9.07 | 9.07 | 0.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide deformylase | IC50 | = | 0.12 | nM | 9.92 | Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS... | 22579486 |
| Peptide deformylase | IC50 | = | 0.86 | nM | 9.07 | Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS pe... | 22579486 |
| Unchecked | IC50 | = | 3.6 | nM | 8.44 | 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 | Blood | 2 |
| 22579486 | 10.1016/j.bmcl.2012.04.086 | Peptide deformylase | 2 |
| 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 |
| 22579486 | 10.1016/j.bmcl.2012.04.086 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine