Compound Detail
CHEMBL3356986
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Basic Information
| ChEMBL ID | CHEMBL3356986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKCGKEHVIVGGDU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.36
ALogP
5
HBA
3
HBD
108.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL2094139 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | Ki | = | 5.0 | nM | 8.3 | Inhibition of aureus Escherichia coli DNA gyrase A2B2 using pBR322 plasmid DNA a... | 25317480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25317480 | 10.1021/jm500563g | Staphylococcus aureus | 3 |
| 25317480 | 10.1021/jm500563g | ADMET | 3 |
| 25317480 | 10.1021/jm500563g | DNA gyrase | 1 |
| 25317480 | 10.1021/jm500563g | Unchecked | 1 |
| 25317480 | 10.1021/jm500563g | Streptococcus pneumoniae | 1 |
| 25317480 | 10.1021/jm500563g | Enterococcus faecalis | 1 |
| 25317480 | 10.1021/jm500563g | Haemophilus influenzae | 1 |
| 25317480 | 10.1021/jm500563g | Plasma | 1 |
| 25317480 | 10.1021/jm500563g | Cytochrome P450 2B6 | 1 |
| 25317480 | 10.1021/jm500563g | Cytochrome P450 2C9 | 1 |
| 25317480 | 10.1021/jm500563g | Cytochrome P450 2C8 | 1 |
| 25317480 | 10.1021/jm500563g | Cytochrome P450 2C19 | 1 |
Data from ChEMBL 36 via Core Engine