Compound Detail
CHEMBL3736321
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Basic Information
| ChEMBL ID | CHEMBL3736321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMINUNKKLNSQRF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
498.3
MW (Da)
2.54
ALogP
8
HBA
3
HBD
127.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit B CHEMBL1921666 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit B | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Staphylococcus aureus DNA GyraseB ATPase activity using linear pBR... | 26460684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26460684 | 10.1021/acs.jmedchem.5b00961 | Staphylococcus aureus | 3 |
| 26460684 | 10.1021/acs.jmedchem.5b00961 | DNA gyrase subunit B | 1 |
| 26460684 | 10.1021/acs.jmedchem.5b00961 | Streptococcus pneumoniae | 1 |
| 26460684 | 10.1021/acs.jmedchem.5b00961 | Enterococcus faecium | 1 |
| 26460684 | 10.1021/acs.jmedchem.5b00961 | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine