Compound Detail
CHEMBL4453061
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
Basic Information
| ChEMBL ID | CHEMBL4453061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZYVBNMAUUYIHP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.02
ALogP
7
HBA
1
HBD
70.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase 4 subunit A CHEMBL4088 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| DNA gyrase subunit A CHEMBL1858 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| DNA gyrase subunit A CHEMBL2424506 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| DNA topoisomerase 4 subunit A CHEMBL1895 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase 4 subunit A | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC ... | 31276392 |
| DNA gyrase subunit A | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in ... | 31276392 |
| DNA gyrase subunit A | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reductio... | 31276392 |
| DNA topoisomerase 4 subunit A | IC50 | = | 59000.0 | nM | 4.23 | Inhibition of Escherichia coli ATCC 25922 DNA topoisomerase 4 subunit ParC asses... | 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 |
Data from ChEMBL 36 via Core Engine