Compound Detail
CHEMBL2041319
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Basic Information
| ChEMBL ID | CHEMBL2041319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDRWSBJRLMRJKA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2078948 |
| Active Moiety | CHEMBL2078948 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
153.3
MW (Da)
2.32
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix protein 2 CHEMBL2052 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix protein 2 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of Influenza A virus wild type M2 proton channel infected in Xenopus ... | 26771709 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Influenza A Virus M2 proton channel expressed in Xenopus laevis oo... | 21691418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21691418 | 10.1021/ml100297w | Unchecked | 2 |
| 21691418 | 10.1021/ml100297w | Matrix protein 2 | 2 |
| 26771709 | 10.1021/acs.jmedchem.5b01910 | Matrix protein 2 | 1 |
| 26771709 | 10.1021/acs.jmedchem.5b01910 | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine