Compound Detail
CHEMBL4211416
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O=C(c1cc(Cl)cc(Cl)c1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL4211416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXQOJLIQCWSJBZ-AXNOTKAXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
5.03
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Marburgvirus CHEMBL4296577 | EC50 | 4.45 | 4.45 | 35300.0 | 1 |
| Ebolavirus CHEMBL4434621 | EC50 | 4.4 | 4.4 | 39800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Marburgvirus | EC50 | = | 35300.0 | nM | 4.45 | Antiviral activity against HIV1 pseudotyped MARV infected in HEK293T cells asses... | 29494844 |
| Ebolavirus | EC50 | = | 39800.0 | nM | 4.4 | Antiviral activity against HIV1 pseudotyped EBOV infected in HEK293T cells asses... | 29494844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Unchecked | 2 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Vesicular stomatitis virus | 1 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Marburgvirus | 1 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | Ebolavirus | 1 |
| 29494844 | 10.1016/j.ejmech.2018.02.061 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine