Compound Detail
CHEMBL506444
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Basic Information
| ChEMBL ID | CHEMBL506444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKDUTNHREIIDCM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1170181 |
| Active Moiety | CHEMBL1170181 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
179.3
MW (Da)
2.55
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 6700.0 | nM | 5.17 | Binding affinity to influenza A virus A/chicken/Germany/27 H7N7 weybridge strain... | 18947998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Unchecked | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | H2N2 subtype | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Influenza A virus | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Influenza B virus | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine