Compound Detail
CHEMBL4435108
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
Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1
Basic Information
| ChEMBL ID | CHEMBL4435108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWABCZVXLMPZBX-VWLOTQADSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
3.49
ALogP
8
HBA
1
HBD
109.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein M2-1 CHEMBL4105717 | EC50 | 9.25 | 9.25 | 0.6 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 9.25 | 9.25 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 0.56 | nM | 9.25 | Antiviral activity against Respiratory syncytial virus | 30411898 |
| Protein M2-1 | EC50 | = | 0.562 | nM | 9.25 | Antiviral Activity: Black 384-well clear-bottom microtiter plates (Corning, Amst... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30411898 | 10.1021/acs.jmedchem.8b01361 | Respiratory syncytial virus | 1 |
Data from ChEMBL 36 via Core Engine