Compound Detail
CHEMBL3088160
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 | CHEMBL3088160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBZWFIHUWUZQDJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
6
PK Parameters
11
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
4.46
ALogP
4
HBA
1
HBD
38.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.52
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| Matrix protein 2 CHEMBL2052 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5290.9 | mL.min-1.kg-1 | Mus musculus |
| CL | 5290.9 | mL.min-1.kg-1 | Mus musculus |
| CL | 5290.9 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 0.01667 | hr | Mus musculus |
| T1/2 | 0.01667 | hr | Mus musculus |
| T1/2 | 0.01667 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against oseltamivir/amantadine-resistant Influenza A virus (A... | 29341607 |
| Influenza A virus | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against Influenza A virus (A/California/07/2009(H1N1)) infect... | 30429954 |
| Matrix protein 2 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of Influenza A virus M2 ion channel S31N mutant by two-electrode volt... | 24237039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30429954 | 10.1021/acsmedchemlett.8b00336 | ADMET | 4 |
| 29341607 | 10.1021/acs.jmedchem.7b01536 | Unchecked | 3 |
| 24237039 | 10.1021/jm401340p | Matrix protein 2 | 2 |
| 29341607 | 10.1021/acs.jmedchem.7b01536 | Liver | 2 |
| 30429954 | 10.1021/acsmedchemlett.8b00336 | Influenza A virus | 2 |
| 24237039 | 10.1021/jm401340p | Unchecked | 1 |
| 29341607 | 10.1021/acs.jmedchem.7b01536 | MDCK | 1 |
| 29341607 | 10.1021/acs.jmedchem.7b01536 | A549 | 1 |
| 30429954 | 10.1021/acsmedchemlett.8b00336 | MDCK | 1 |
| 30429954 | 10.1021/acsmedchemlett.8b00336 | Unchecked | 1 |
| 30429954 | 10.1021/acsmedchemlett.8b00336 | Matrix protein 2 | 1 |
Data from ChEMBL 36 via Core Engine