Compound Detail
CHEMBL5181012
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CCCN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5181012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSOSFLUNDAOFRM-QGVAVTBLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
602.8
MW (Da)
4.44
ALogP
5
HBA
2
HBD
98.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV CHEMBL4303836 | IC50 | 10.4 | 10.4 | 0.0 | 1 |
| Ebolavirus CHEMBL4434621 | IC50 | 10.4 | 10.4 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV | IC50 | = | 0.04 | nM | 10.4 | Antiviral activity against SARS-CoV Live SARS-CoV assay and cytotoxicity assesse... | 35305462 |
| Ebolavirus | IC50 | = | 0.04 | nM | 10.4 | Antiviral activity against Ebola virus pseudotyped infected in HEK293T cells ass... | 35305462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35305462 | 10.1016/j.ejmech.2022.114255 | SARS-CoV | 1 |
| 35305462 | 10.1016/j.ejmech.2022.114255 | Ebolavirus | 1 |
Data from ChEMBL 36 via Core Engine