Compound Detail
CHEMBL3805551
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Basic Information
| ChEMBL ID | CHEMBL3805551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYOTZQQVNJZXMM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
0.72
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.12
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL3621021 | IC50 | 4.54 | 4.54 | 29200.0 | 1 |
| Polymerase acidic protein CHEMBL3621021 | EC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | IC50 | = | 29200.0 | nM | 4.54 | Inhibition of recombinant Influenza A/X-31 virus PA (N-terminal amino acid resid... | - |
| Polymerase acidic protein | EC50 | = | 75000.0 | nM | 4.12 | Inhibition of recombinant Influenza A/X-31 virus PA infected in HEK293T cells af... | - |
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 |
Data from ChEMBL 36 via Core Engine