Compound Detail
CHEMBL3410412
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Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)nn2c(=O)c1C
Basic Information
| ChEMBL ID | CHEMBL3410412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCUBJXKKOTVNHI-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
2.38
ALogP
6
HBA
2
HBD
116.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 7.19 | 7.19 | 65.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 1.5 | % | Rattus norvegicus |
| Fu | 0.065 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 65.0 | nM | 7.19 | Antiviral activity against Respiratory syncytial virus A2 infected in human Hep2... | 25574686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25574686 | 10.1021/jm5017768 | ADMET | 5 |
| 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