Compound Detail
CHEMBL550056
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CS(=O)(=O)CCCn1c(CN2C(=O)/C(=N/OCc3ccccn3)c3ccncc32)nc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL550056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGRJZCBHUPKVRV-RMLRFSFXSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
2.73
ALogP
9
HBA
0
HBD
119.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 7.54 | 7.54 | 29.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.35 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 29.0 | nM | 7.54 | Antiviral activity against RSV assessed as inhibition of viral replication by ce... | 19596574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19596574 | 10.1016/j.bmcl.2009.06.030 | Respiratory syncytial virus | 1 |
| 19596574 | 10.1016/j.bmcl.2009.06.030 | ADMET | 1 |
| 19596574 | 10.1016/j.bmcl.2009.06.030 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine