Compound Detail
CHEMBL1957282
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Basic Information
| ChEMBL ID | CHEMBL1957282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSQJFSPRTJGQHD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.3
MW (Da)
3.55
ALogP
5
HBA
1
HBD
76.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.59 | 4.59 | 25400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 25400.0 | nM | 4.59 | Antiviral activity against Hepatitis C virus genotype 1b 1389 infected in human ... | 22386565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22386565 | 10.1016/j.bmc.2012.01.031 | Unchecked | 1 |
| 22386565 | 10.1016/j.bmc.2012.01.031 | ADMET | 1 |
| 22386565 | 10.1016/j.bmc.2012.01.031 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine