Compound Detail
CHEMBL398805
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Basic Information
| ChEMBL ID | CHEMBL398805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRZCSWIVEIQDQW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
3.68
ALogP
6
HBA
0
HBD
57.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1833 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 10.0 | nM | 8.0 | Antiviral activity against RSV Long in HEp2 cells assessed as reduction of virus... | 17169560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17169560 | 10.1016/j.bmcl.2006.11.063 | ADMET | 2 |
| 17169560 | 10.1016/j.bmcl.2006.11.063 | Respiratory syncytial virus | 1 |
| 17169560 | 10.1016/j.bmcl.2006.11.063 | Liver microsomes | 1 |
| 17169560 | 10.1016/j.bmcl.2006.11.063 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine