Compound Detail
CHEMBL45505
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 | CHEMBL45505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEVKUUKTVIGMHH-UHFFFAOYSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
2.91
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.03
EC50 1 meas. best 5.54
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 6.03 | 6.03 | 930.0 | 1 |
| MDCK CHEMBL614068 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Matrix protein 2 CHEMBL1932894 | Kd | 5.53 | 5.53 | 2930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 900.0 | nM | 6.05 | Antiviral activity against Influenza A virus (A/WSN/1933(H1N1)) expressing M2 pr... | 28107633 |
| Unchecked | Kd | = | 930.0 | nM | 6.03 | Binding affinity to synthetic wild-type C-terminally amidated Influenza A virus ... | 28107633 |
| MDCK | EC50 | = | 2900.0 | nM | 5.54 | Antiviral activity against influenza A H2N2(A2 japan/305/57) in MDCK cells | 12729645 |
| Matrix protein 2 | Kd | = | 2930.0 | nM | 5.53 | Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectr... | 20570509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8071937 | 10.1021/jm00044a010 | HEF | 7 |
| 8071937 | 10.1021/jm00044a010 | Vero | 6 |
| 28107633 | 10.1021/acs.jmedchem.6b01115 | Unchecked | 6 |
| 8071937 | 10.1021/jm00044a010 | MDCK | 3 |
| 8071937 | 10.1021/jm00044a010 | HeLa | 3 |
| 8071937 | 10.1021/jm00044a010 | CCRF-CEM | 3 |
| 12729645 | 10.1016/s0960-894x(03)00231-2 | MDCK | 2 |
| 28107633 | 10.1021/acs.jmedchem.6b01115 | Matrix protein 2 | 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 |
| 28107633 | 10.1021/acs.jmedchem.6b01115 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine