Compound Detail
CHEMBL3305169
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Basic Information
| ChEMBL ID | CHEMBL3305169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZRQYRWHUJFGOO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
1.49
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix protein 2 CHEMBL1932894 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Matrix protein 2 CHEMBL2052 | IC50 | 4.65 | 4.65 | 22600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix protein 2 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expres... | 25899336 |
| Matrix protein 2 | IC50 | = | 22600.0 | nM | 4.65 | Inhibition of Influenza A virus (A/udorn/1972(H3N2)) M2 V27A mutant channel expr... | 25899336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25899336 | 10.1016/j.ejmech.2015.04.030 | Matrix protein 2 | 5 |
Data from ChEMBL 36 via Core Engine