Compound Detail
CHEMBL2442216
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CC[N+](CC)(CCCCCCCC[N+](CC)(CC)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL2442216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBKKXRHEUMGSHS-OGFSWNDNSA-L |
| Parent Compound | CHEMBL3040648 |
| Active Moiety | CHEMBL3040648 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
613.1
MW (Da)
9.61
ALogP
2
HBA
0
HBD
24.7
PSA (Ų)
0.10
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 13200.0 | nM | 4.88 | Antiviral activity against Influenza virus A/California/07/09 (H1N1)pdm09 infect... | 23993669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23993669 | 10.1016/j.bmc.2013.08.014 | NON-PROTEIN TARGET | 2 |
| 23993669 | 10.1016/j.bmc.2013.08.014 | Escherichia coli | 2 |
| 23993669 | 10.1016/j.bmc.2013.08.014 | MT4 | 1 |
| 23993669 | 10.1016/j.bmc.2013.08.014 | U-937 | 1 |
| 23993669 | 10.1016/j.bmc.2013.08.014 | Unchecked | 1 |
| 23993669 | 10.1016/j.bmc.2013.08.014 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine