Compound Detail
CHEMBL4449209
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CC(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc1nc3cc(Cl)ccc3n1CCCC#N)c1cnccc12
Basic Information
| ChEMBL ID | CHEMBL4449209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUJXDSOCGKAYBF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
4.81
ALogP
7
HBA
0
HBD
104.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 10.62 | 10.62 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 0.024 | nM | 10.62 | Antiviral activity against Respiratory syncytial virus by CPE reduction assay | 30411898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30411898 | 10.1021/acs.jmedchem.8b01361 | Respiratory syncytial virus | 1 |
Data from ChEMBL 36 via Core Engine