Compound Detail
CHEMBL4547624
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CN(C)c1cccc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)n1
Basic Information
| ChEMBL ID | CHEMBL4547624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITXPYFKTTDNLPN-MSOLQXFVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
1.63
ALogP
7
HBA
3
HBD
118.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.1 | 7.8 | 8.0 | 2 |
| Peptide deformylase CHEMBL2010635 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Streptococcus pneumoniae PDF by fluorescence detection assay | 31160176 |
| Peptide deformylase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Staphylococcus aureus PDF by fluorescence detection assay | 31160176 |
| Unchecked | IC50 | = | 32.0 | nM | 7.5 | Inhibition of Haemophilus influenzae PDF by fluorescence detection assay | 31160176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31160176 | 10.1016/j.bmcl.2019.05.028 | Unchecked | 2 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | No relevant target | 2 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | Peptide deformylase | 1 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | Staphylococcus aureus | 1 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | Haemophilus influenzae | 1 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | Streptococcus pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine