Compound Detail
CHEMBL3410432
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Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(C)n3n2)c1
Basic Information
| ChEMBL ID | CHEMBL3410432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFNQVMYKQXNBSK-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
3.70
ALogP
6
HBA
1
HBD
96.7
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 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 8.12 | 8.12 | 7.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 26.0 | % | Rattus norvegicus |
| Fu | 0.014 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 7.5 | nM | 8.12 | Antiviral activity against Respiratory syncytial virus A2 infected in human Hep2... | 25574686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25574686 | 10.1021/jm5017768 | ADMET | 4 |
| 25574686 | 10.1021/jm5017768 | Respiratory syncytial virus | 1 |
| 25574686 | 10.1021/jm5017768 | No relevant target | 1 |
| 25574686 | 10.1021/jm5017768 | Plasma | 1 |
| 25574686 | 10.1021/jm5017768 | MT4 | 1 |
| 25574686 | 10.1021/jm5017768 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine