Compound Detail
CHEMBL560936
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COCCCn1c(CN2C(=O)/C(=N/OCc3ccc(C(=O)N(C)C)cc3)c3ccccc32)nc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL560936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXLFUTNPXWHRAC-VEWQFJOQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
4.24
ALogP
7
HBA
0
HBD
89.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 30.0 | nM | 7.52 | 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 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine