Compound Detail
CHEMBL492770
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Basic Information
| ChEMBL ID | CHEMBL492770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRKCLIARHIPPNE-YBEGLDIGSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
2.97
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.46
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.46 | 5.59 | 350.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.02 | 5.56 | 960.0 | 2 |
| Hepatitis C virus CHEMBL379 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 350.0 | nM | 6.46 | Antiviral activity against HIV1 | 19112024 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 350.0 | nM | 6.46 | Inhibition of HIV1 integrase strand transfer activity | 19450984 |
| Unchecked | IC50 | = | 960.0 | nM | 6.02 | Inhibition of HCV RNA dependent RNA polymerase | 19233643 |
| Hepatitis C virus | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of recombinant HCV 1b NS5B deltac21 RNA polymerase by scintillator co... | 18644717 |
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of HCV RNA-dependent RNA polymerase | 18644717 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labele... | 18644730 |
| Hepatitis C virus | EC50 | = | 30000.0 | nM | 4.52 | Antiviral activity against HCV subgenomic replicon harboring NS5B gene transfect... | 18644717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19233643 | 10.1016/j.bmcl.2009.02.010 | Replicase polyprotein 1ab | 2 |
| 18644717 | 10.1016/j.bmcl.2008.07.008 | Hepatitis C virus | 2 |
| 18644730 | 10.1016/j.bmc.2008.07.008 | Human immunodeficiency virus type 1 integrase | 2 |
| 19233643 | 10.1016/j.bmcl.2009.02.010 | Unchecked | 1 |
| 18644717 | 10.1016/j.bmcl.2008.07.008 | ADMET | 1 |
| 18644717 | 10.1016/j.bmcl.2008.07.008 | Unchecked | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
| 19450984 | 10.1016/j.bmc.2009.04.058 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine