Compound Detail
CHEMBL3741270
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Basic Information
| ChEMBL ID | CHEMBL3741270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNCUFRNKLJOHOZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
4.40
ALogP
5
HBA
2
HBD
91.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit B CHEMBL1921666 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 105.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 2.1 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit B | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence ana... | 26487916 |
| Unchecked | IC50 | = | 56.0 | nM | 7.25 | Inhibition of Staphylococcus aureus topoisomerase 4 by fluorescence analysis | 26487916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26487916 | 10.1021/acsmedchemlett.5b00266 | Staphylococcus aureus | 4 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | Mus musculus | 4 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | Streptococcus pneumoniae | 3 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | DNA gyrase subunit B | 1 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | Unchecked | 1 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | Enterococcus faecium | 1 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | Enterococcus faecalis | 1 |
| 26487916 | 10.1021/acsmedchemlett.5b00266 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine