Compound Detail
CHEMBL3417264
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CC(C)[C@H](N)C(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O.Cl
Basic Information
| ChEMBL ID | CHEMBL3417264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDGBJYZCVPUTIA-XXUOTVDHSA-N |
| Parent Compound | CHEMBL3546944 |
| Active Moiety | CHEMBL3546944 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.8
MW (Da)
-0.44
ALogP
9
HBA
3
HBD
142.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Respiratory syncytial virus subgenomic replicon syste... | 25667954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25667954 | 10.1021/jm5017279 | Respiratory syncytial virus | 1 |
| 25667954 | 10.1021/jm5017279 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine