Compound Detail
CHEMBL4128711
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 | CHEMBL4128711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNBRRJMBTVMTJT-JSGCOSHPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
1.47
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL3038482 | IC50 | 8.73 | 8.73 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | IC50 | = | 1.86 | nM | 8.73 | Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxati... | 29803359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29803359 | 10.1016/j.bmc.2018.05.016 | Erythrocyte | 3 |
| 29803359 | 10.1016/j.bmc.2018.05.016 | DNA gyrase | 2 |
| 29803359 | 10.1016/j.bmc.2018.05.016 | Corynebacterium diphtheriae | 2 |
| 29803359 | 10.1016/j.bmc.2018.05.016 | Klebsiella pneumoniae | 1 |
| 29803359 | 10.1016/j.bmc.2018.05.016 | Escherichia coli | 1 |
| 29803359 | 10.1016/j.bmc.2018.05.016 | Pseudomonas aeruginosa | 1 |
| 29803359 | 10.1016/j.bmc.2018.05.016 | Staphylococcus aureus | 1 |
| 29803359 | 10.1016/j.bmc.2018.05.016 | Streptococcus pyogenes | 1 |
Data from ChEMBL 36 via Core Engine