Compound Detail
CHEMBL3410419
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Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccccc3N(C)S(C)(=O)=O)nn2c(=O)c1C
Basic Information
| ChEMBL ID | CHEMBL3410419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSHXKGFTIITNCK-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
2.40
ALogP
6
HBA
1
HBD
107.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 6.37 | 6.37 | 429.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 429.0 | nM | 6.37 | Antiviral activity against Respiratory syncytial virus A2 infected in human Hep2... | 25574686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25574686 | 10.1021/jm5017768 | ADMET | 3 |
| 25574686 | 10.1021/jm5017768 | Respiratory syncytial virus | 1 |
| 25574686 | 10.1021/jm5017768 | No relevant target | 1 |
| 25574686 | 10.1021/jm5017768 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine