Compound Detail
CHEMBL422481
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Basic Information
| ChEMBL ID | CHEMBL422481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDXAOGSVMCOTJP-WEVVVXLNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.31
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Quinolone resistance protein NorA CHEMBL5114 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Quinolone resistance protein NorA | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Sta... | 22682300 |
| ADMET | IC50 | = | 22000.0 | nM | 4.66 | Inhibitory activity against phytohemagglutininin A-induced proliferation of huma... | 9822551 |
| Leishmania donovani | IC50 | = | 23000.0 | nM | 4.64 | Tested in vitro for anti-leishmanial activity against Leishmania donovani | 9822551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22682300 | 10.1016/j.bmc.2012.05.025 | Quinolone resistance protein NorA | 10 |
| 22682300 | 10.1016/j.bmc.2012.05.025 | Staphylococcus aureus | 2 |
| 9822551 | 10.1021/jm980410m | Leishmania donovani | 1 |
| 9822551 | 10.1021/jm980410m | ADMET | 1 |
| 22682300 | 10.1016/j.bmc.2012.05.025 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine