Compound Detail
CHEMBL5568614
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Cc1nc2ccccc2c2c1O[C@]1(CC2)C[C@H]2C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3/C=C/CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1
Basic Information
| ChEMBL ID | CHEMBL5568614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXVFWKZFKJJWAG-ZNCZZGRESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
749.9
MW (Da)
4.49
ALogP
9
HBA
3
HBD
173.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-structural protein 4b CHEMBL6066153 | IC50 | 10.89 | 10.02 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-structural protein 4b | IC50 | = | 0.013 | nM | 10.89 | Inhibition of Hepatitis C virus genotype 1b NS4B | 38179950 |
| Non-structural protein 4b | IC50 | = | 0.7 | nM | 9.15 | Inhibition of Hepatitis C virus genotype 3a NS4B | 38179950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38179950 | 10.1021/acs.jmedchem.3c01971 | Non-structural protein 4b | 2 |
Data from ChEMBL 36 via Core Engine