Compound Detail
CHEMBL2322822
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COc1ccc(-n2cnc3cc(N(Cc4ccc(C(C)C)cc4)S(=O)(=O)c4ccc(C)cc4)ccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL2322822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUNDKBOYYKJVAY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
525.7
MW (Da)
6.86
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Junin virus CHEMBL4523072 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| Machupo mammarenavirus CHEMBL4888477 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Lassa virus CHEMBL615051 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Junin virus | EC50 | = | 16.0 | nM | 7.8 | Antiviral activity against Junin virus pseudovirions infected in HEK293T/17 cell... | 23265895 |
| Machupo mammarenavirus | EC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Machupo virus pseudovirions infected in HEK293T/17 ce... | 23265895 |
| Lassa virus | EC50 | = | 110.0 | nM | 6.96 | Antiviral activity against Lassa virus pseudovirions infected in HEK293T/17 cell... | 23265895 |
| NON-PROTEIN TARGET | EC50 | = | 510.0 | nM | 6.29 | Antiviral activity against Sabia virus pseudovirions infected in HEK293T/17 cell... | 23265895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23265895 | 10.1016/j.bmcl.2012.11.095 | NON-PROTEIN TARGET | 2 |
| 23265895 | 10.1016/j.bmcl.2012.11.095 | Junin virus | 1 |
| 23265895 | 10.1016/j.bmcl.2012.11.095 | Machupo mammarenavirus | 1 |
| 23265895 | 10.1016/j.bmcl.2012.11.095 | Lassa virus | 1 |
Data from ChEMBL 36 via Core Engine