Compound Detail
CHEMBL3410417
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Basic Information
| ChEMBL ID | CHEMBL3410417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQWWGZCMFPVWGF-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.19
ALogP
6
HBA
2
HBD
108.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 6.67 | 6.67 | 212.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.098 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 212.0 | nM | 6.67 | 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 |
Data from ChEMBL 36 via Core Engine