Compound Detail
CHEMBL175948
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C=C[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3ccccc23)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL175948 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RIZVGEMZBPEENZ-GGYAULFJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
723.9
MW (Da)
4.62
ALogP
7
HBA
4
HBD
167.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 13.0 | nM | 7.89 | Inhibitory concentration against hepatitis C virus NS3 protease | 15633995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15633995 | 10.1021/jm0400101 | NS3 | 1 |
Data from ChEMBL 36 via Core Engine