Compound Detail
CHEMBL243031
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Basic Information
| ChEMBL ID | CHEMBL243031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXNQOQBSLQCPNF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
8
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
2.59
ALogP
8
HBA
0
HBD
91.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1433.33 | ng.hr.mL-1 | Mus musculus |
| AUC | 40.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 306.67 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 185.0 | ng.hr.mL-1 | Macaca fascicularis |
| T1/2 | 1.45 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 15.0 | nM | 7.82 | 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 | Respiratory syncytial virus | 2 |
| 17169560 | 10.1016/j.bmcl.2006.11.063 | ADMET | 2 |
| 17169560 | 10.1016/j.bmcl.2006.11.063 | Liver microsomes | 1 |
| 17169560 | 10.1016/j.bmcl.2006.11.063 | Caco-2 | 1 |
| 17169560 | 10.1016/j.bmcl.2006.11.063 | Mus musculus | 1 |
| 17169560 | 10.1016/j.bmcl.2006.11.063 | Rattus norvegicus | 1 |
| 17169560 | 10.1016/j.bmcl.2006.11.063 | Canis familiaris | 1 |
| 17169560 | 10.1016/j.bmcl.2006.11.063 | Cynomolgus monkey | 1 |
Data from ChEMBL 36 via Core Engine