Compound Detail
CHEMBL4438807
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Basic Information
| ChEMBL ID | CHEMBL4438807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MELNHVXWRBLZRI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.60
ALogP
6
HBA
1
HBD
69.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit A CHEMBL2424506 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| DNA topoisomerase 4 subunit A CHEMBL4088 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| DNA topoisomerase 4 subunit A CHEMBL1895 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| DNA gyrase subunit A CHEMBL1858 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit A | IC50 | = | 800.0 | nM | 6.1 | Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reductio... | 31276392 |
| DNA topoisomerase 4 subunit A | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC ... | 31276392 |
| DNA topoisomerase 4 subunit A | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Escherichia coli ATCC 25922 DNA topoisomerase 4 subunit ParC asses... | 31276392 |
| DNA gyrase subunit A | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in ... | 31276392 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31276392 | 10.1021/acs.jmedchem.9b00394 | DNA topoisomerase 4 subunit A | 2 |
| 31276392 | 10.1021/acs.jmedchem.9b00394 | DNA gyrase subunit A | 2 |
| 31276392 | 10.1021/acs.jmedchem.9b00394 | Staphylococcus aureus | 2 |
| 31276392 | 10.1021/acs.jmedchem.9b00394 | Escherichia coli | 1 |
| 31276392 | 10.1021/acs.jmedchem.9b00394 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine