Compound Detail
CHEMBL188671
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Basic Information
| ChEMBL ID | CHEMBL188671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNHWNIOCMHECBY-SJORKVTESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
1.31
ALogP
5
HBA
4
HBD
124.8
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptide deformylase CHEMBL1795101 | Ki | 8.52 | 7.78 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptide deformylase | Ki | = | 3.0 | nM | 8.52 | Inhibitory effect against Escherichia coli peptide deformylase (PDF) by AAP assa... | 15369398 |
| Peptide deformylase | Ki | = | 92.0 | nM | 7.04 | Inhibitory effect against Escherichia coli peptide deformylase (PDF) by DPPI ass... | 15369398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15369398 | 10.1021/jm049592c | Peptide deformylase | 4 |
| 15369398 | 10.1021/jm049592c | Streptococcus pneumoniae | 3 |
| 15369398 | 10.1021/jm049592c | Staphylococcus aureus | 1 |
| 15369398 | 10.1021/jm049592c | Escherichia coli | 1 |
| 15369398 | 10.1021/jm049592c | Unchecked | 1 |
| 15369398 | 10.1021/jm049592c | Enterococcus faecalis | 1 |
| 15369398 | 10.1021/jm049592c | Haemophilus influenzae | 1 |
| 15369398 | 10.1021/jm049592c | Moraxella catarrhalis | 1 |
Data from ChEMBL 36 via Core Engine