Compound Detail
CHEMBL473893
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
CC(C)C(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NS(=O)(=O)C(Cl)Cl
Basic Information
| ChEMBL ID | CHEMBL473893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCJGUPDYWNYSJW-CNYIRLTGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
465.3
MW (Da)
-1.74
ALogP
8
HBA
6
HBD
182.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human respirovirus 1 CHEMBL612680 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Respirovirus muris CHEMBL613281 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Human parainfluenza virus 2 CHEMBL613737 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Human respirovirus 3 CHEMBL613126 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human respirovirus 1 | IC50 | = | 1200.0 | nM | 5.92 | Antiviral activity against Human parainfluenza virus 1 | 19112024 |
| Respirovirus muris | IC50 | = | 1800.0 | nM | 5.75 | Antiviral activity against Sendai virus | 19112024 |
| Human parainfluenza virus 2 | IC50 | = | 1900.0 | nM | 5.72 | Antiviral activity against Human parainfluenza virus 2 | 19112024 |
| Human respirovirus 3 | IC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against Human parainfluenza virus 3 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human respirovirus 1 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human parainfluenza virus 2 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Respirovirus muris | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human respirovirus 3 | 1 |
Data from ChEMBL 36 via Core Engine