Compound Detail
CHEMBL1940642
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Basic Information
| ChEMBL ID | CHEMBL1940642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAPBKEBURAGAFJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
299.7
MW (Da)
2.66
ALogP
6
HBA
2
HBD
105.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.7
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.39 | 4.39 | 40410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against HCV genotype 1b infected in Ava5 cells assessed as in... | 22059983 |
| Unchecked | IC50 | = | 40410.0 | nM | 4.39 | Inhibition of NS-1in Zika virus | 33689873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22059983 | 10.1021/jm201264t | Hepatitis C virus | 2 |
| 23137434 | 10.1016/j.bmcl.2012.10.060 | HEK-293T | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | Unchecked | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | ADMET | 2 |
| 22059983 | 10.1021/jm201264t | Unchecked | 1 |
| 22059983 | 10.1021/jm201264t | ADMET | 1 |
| 23137434 | 10.1016/j.bmcl.2012.10.060 | Mycobacterium tuberculosis | 1 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine