Compound Detail
CHEMBL248017
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CC(C)CCn1c(Cn2c(=O)n(CC(=O)OC(C)(C)C)c3ccccc32)nc2cc(C#N)ccc21
Basic Information
| ChEMBL ID | CHEMBL248017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUIPIYVGHYCMSO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
4.46
ALogP
8
HBA
0
HBD
94.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 5.59 | 5.59 | 2550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 2550.0 | nM | 5.59 | Antiviral activity against RSV long A with F1 protein K394R mutation in HEp2 cel... | 17576060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17576060 | 10.1016/j.bmcl.2007.05.102 | ADMET | 2 |
| 17576060 | 10.1016/j.bmcl.2007.05.102 | Respiratory syncytial virus | 1 |
Data from ChEMBL 36 via Core Engine