Compound Detail
CHEMBL109448
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 | CHEMBL109448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZUDOWCTKOXYCZ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
156.1
MW (Da)
0.04
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.2 | 7.185 | 63.1 | 2 |
| Polymerase acidic protein CHEMBL1169598 | IC50 | 4.71 | 4.705 | 19700.0 | 2 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 63.1 | nM | 7.2 | Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... | 30351002 |
| Unchecked | IC50 | = | 68.0 | nM | 7.17 | Inhibition of Influenza A (A/California/04/2009) (H1N1) clinical isolate N-termi... | 30351002 |
| Polymerase acidic protein | IC50 | = | 19700.0 | nM | 4.71 | Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease... | 27291165 |
| Polymerase acidic protein | IC50 | = | 19952.62 | nM | 4.7 | Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease... | 27291165 |
| RNA-directed RNA polymerase | IC50 | = | 51000.0 | nM | 4.29 | Inhibitory potency against NS5B HCV polymerase | 15149686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Unchecked | 4 |
| 27291165 | 10.1021/acs.jmedchem.6b00628 | Polymerase acidic protein | 4 |
| 15149686 | 10.1016/j.bmcl.2004.03.087 | RNA-directed RNA polymerase | 1 |
| 15149686 | 10.1016/j.bmcl.2004.03.087 | Hepatitis C virus | 1 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Arginase-1 | 1 |
| 30351002 | 10.1021/acs.jmedchem.8b01363 | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine