Compound Detail
CHEMBL1774153
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
CN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)c4c(=O)[nH]sc4n(C4CC4)c3c2OC)C1
Basic Information
| ChEMBL ID | CHEMBL1774153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOJRULJEVFPUAA-WDEREUQCSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
2.82
ALogP
7
HBA
2
HBD
79.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.96 | 6.45 | 110.0 | 2 |
| DNA gyrase CHEMBL3038482 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| DNA gyrase subunit A CHEMBL2424506 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Inhibition of wild-type Staphylococcus aureus topoisomerase 4-mediated decatenat... | 21425851 |
| DNA gyrase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of wild-type Staphylococcus aureus DNA gyrase assessed as inhibition ... | 21425851 |
| Unchecked | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of Staphylococcus aureus topoisomerase 4 Ser80Phe mutant-mediated dec... | 21425851 |
| DNA gyrase subunit A | IC50 | = | 18700.0 | nM | 4.73 | Inhibition of Staphylococcus aureus DNA gyrase Ser84Leu mutant assessed as inhib... | 21425851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21425851 | 10.1021/jm101604v | Staphylococcus aureus | 3 |
| 21425851 | 10.1021/jm101604v | Unchecked | 2 |
| 21425851 | 10.1021/jm101604v | Escherichia coli | 1 |
| 21425851 | 10.1021/jm101604v | DNA gyrase | 1 |
| 21425851 | 10.1021/jm101604v | DNA gyrase subunit A | 1 |
| 21425851 | 10.1021/jm101604v | HEp-2 | 1 |
Data from ChEMBL 36 via Core Engine