Compound Detail
CHEMBL45179
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
Basic Information
| ChEMBL ID | CHEMBL45179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORTXKEKOYJFAGF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
2.95
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
Kd 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix protein 2 CHEMBL1932894 | Kd | 5.82 | 5.82 | 1500.0 | 1 |
| MDCK CHEMBL614068 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix protein 2 | Kd | = | 1500.0 | nM | 5.82 | Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectr... | 20570509 |
| MDCK | EC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against influenza A H2N2(A2 japan/305/57) in MDCK cells | 12729645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729645 | 10.1016/s0960-894x(03)00231-2 | MDCK | 2 |
| 12729645 | 10.1016/s0960-894x(03)00231-2 | Epithelial cell | 1 |
| 12729645 | 10.1016/s0960-894x(03)00231-2 | Unchecked | 1 |
| 20570509 | 10.1016/j.bmcl.2010.05.049 | Matrix protein 2 | 1 |
Data from ChEMBL 36 via Core Engine