Compound Detail
CHEMBL513181
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Basic Information
| ChEMBL ID | CHEMBL513181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODLGMSQBFONGNG-XZMZPDFPSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
284.2
MW (Da)
-1.93
ALogP
9
HBA
4
HBD
179.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.74
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 10.74 | 10.74 | 0.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 10.52 | 10.52 | 0.0 | 1 |
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 6.77 | 6.77 | 171.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.77 | 6.77 | 171.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 6.77 | 6.77 | 171.0 | 1 |
| Respiratory syncytial virus CHEMBL612679 | EC50 | 6.28 | 6.28 | 520.0 | 1 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase CHEMBL5375 | IC50 | 5.89 | 5.89 | 1280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 2 | EC50 | = | 0.018 | nM | 10.74 | Antiviral activity against HIV-2 D194 infected in PBMC assessed as inhibition of... | 37229831 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 0.03 | nM | 10.52 | Inhibition of wild type HIV-1 reverse transcriptase | 37229831 |
| Hepatitis C virus | EC50 | = | 171.0 | nM | 6.77 | Antiviral activity against HCV 1b infected in human 2209-23 cells by replicon as... | 19341305 |
| Hepatitis C virus | IC50 | = | 171.0 | nM | 6.77 | Antiviral activity against Hepatitis C virus infected human 2209-23 cells by gen... | 19055482 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 171.0 | nM | 6.77 | Inhibition of HIV-1 protease | 37229831 |
| Respiratory syncytial virus | EC50 | = | 520.0 | nM | 6.28 | Antiviral activity against Respiratory syncytial virus subgenomic replicon syste... | 25667954 |
| Hepatitis C virus NS5B RNA-dependent RNA polymerase | IC50 | = | 1280.0 | nM | 5.89 | Inhibition of Hepatitis C virus NS5B polymerase | 37229831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19341305 | 10.1021/jm801595c | ADMET | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19055482 | 10.1021/jm800981y | Hepatitis C virus | 1 |
| 19055482 | 10.1021/jm800981y | ADMET | 1 |
| 19055482 | 10.1021/jm800981y | NON-PROTEIN TARGET | 1 |
| 19341305 | 10.1021/jm801595c | Hepatitis C virus | 1 |
| 25667954 | 10.1021/jm5017279 | Respiratory syncytial virus | 1 |
| 25667954 | 10.1021/jm5017279 | HeLa | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 37229831 | 10.1016/j.ejmech.2023.115503 | Hepatitis C virus NS5B RNA-dependent RNA polymerase | 1 |
| 37229831 | 10.1016/j.ejmech.2023.115503 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 37229831 | 10.1016/j.ejmech.2023.115503 | Human immunodeficiency virus 2 | 1 |
| 37229831 | 10.1016/j.ejmech.2023.115503 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine