Compound Detail
CHEMBL4074573
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Basic Information
| ChEMBL ID | CHEMBL4074573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQHMVIJSUMCVSF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
233.4
MW (Da)
3.86
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix protein 2 CHEMBL2052 | Kd | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix protein 2 | Kd | = | 9900.0 | nM | 5.0 | Binding affinity to synthetic Influenza A virus (A/Udorn/307/72) M2 transmembran... | 28107633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28107633 | 10.1021/acs.jmedchem.6b01115 | Unchecked | 6 |
| 28107633 | 10.1021/acs.jmedchem.6b01115 | Matrix protein 2 | 4 |
| 28107633 | 10.1021/acs.jmedchem.6b01115 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine