Compound Detail
CHEMBL345440
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CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCN(CCO)CC1
Basic Information
| ChEMBL ID | CHEMBL345440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNMHZXHBDNRMPA-FQRUVTKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
2.84
ALogP
7
HBA
3
HBD
113.4
PSA (Ų)
0.16
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide deformylase CHEMBL1795101 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide deformylase | IC50 | = | 2.0 | nM | 8.7 | 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 | Streptococcus pneumoniae | 1 |
| 14684298 | 10.1016/j.bmcl.2003.10.013 | Haemophilus influenzae | 1 |
| 14684298 | 10.1016/j.bmcl.2003.10.013 | Moraxella catarrhalis | 1 |
Data from ChEMBL 36 via Core Engine