Compound Detail
CHEMBL3417242
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Basic Information
| ChEMBL ID | CHEMBL3417242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUUFKRXJQUHSNO-IBCQBUCCSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
7
Publications
0
Known Names
Molecular Properties
277.2
MW (Da)
-1.25
ALogP
7
HBA
3
HBD
110.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1540.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 31835.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 54.3 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 2.69 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 7.66 | hr | Macaca fascicularis |
| T1/2 | 9.49 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 160.0 | nM | 6.8 | Antiviral activity against Respiratory syncytial virus subgenomic replicon syste... | 25667954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25667954 | 10.1021/jm5017279 | ADMET | 5 |
| 25667954 | 10.1021/jm5017279 | Cynomolgus monkey | 5 |
| 25667954 | 10.1021/jm5017279 | Rattus norvegicus | 5 |
| 25667954 | 10.1021/jm5017279 | Lung | 2 |
| 25667954 | 10.1021/jm5017279 | Respiratory syncytial virus | 1 |
| 25667954 | 10.1021/jm5017279 | HeLa | 1 |
| 25667954 | 10.1021/jm5017279 | A549 | 1 |
Data from ChEMBL 36 via Core Engine