Compound Detail
CHEMBL3805084
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 | CHEMBL3805084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNWXLPRAYJKYNF-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.01
ALogP
4
HBA
1
HBD
62.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas.
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL3621021 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | IC50 | = | 12700.0 | nM | 4.9 | Inhibition of recombinant Influenza A/X-31 virus PA (N-terminal amino acid resid... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00439J | ADMET | 2 |
| - | 10.1039/C5MD00439J | Polymerase acidic protein | 2 |
| - | 10.1039/C5MD00439J | No relevant target | 2 |
| - | 10.1039/C5MD00439J | Hepatitis C virus | 1 |
| - | 10.1039/C5MD00439J | Unchecked | 1 |
| 31303998 | 10.1039/C9MD00200F | Hepatitis C virus | 1 |
| 31303998 | 10.1039/C9MD00200F | Huh-5-2 | 1 |
| 31303998 | 10.1039/C9MD00200F | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine