Compound Detail
CHEMBL3971095
RUZASVIR 🧪 Phase II
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🧪 Phase II
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@@H](c2cnc(C4CC4)s2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3971095 |
| Name | RUZASVIR |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AXWDHVUJXNOWCC-RAEGKSCOSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
4
Publications
2
Known Names
2
Indications
1
Mechanisms
Molecular Properties
947.1
MW (Da)
8.59
ALogP
12
HBA
4
HBD
201.7
PSA (Ų)
0.09
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Nonstructural protein 5A inhibitor | INHIBITOR | Nonstructural protein 5A | ✓ | ✓ |
Indications
Hepatitis C Hepatitis C, Chronic
Activity Summary
EC50 1 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 10.22 | 10.22 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 378.84 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 12217.72 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 13.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.6 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 4.0 | % | Rattus norvegicus |
| F | 22.0 | % | Canis lupus familiaris |
| T1/2 | 4.7 | hr | Rattus norvegicus |
| T1/2 | 4.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 0.06 | nM | 10.22 | Antiviral activity against Hepatitis C virus genotype 1a harboring NS5A Y93H mut... | 34213340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27808515 | 10.1021/acs.jmedchem.6b01310 | Unchecked | 14 |
| 27808515 | 10.1021/acs.jmedchem.6b01310 | ADMET | 10 |
| 27808515 | 10.1021/acs.jmedchem.6b01310 | Nonstructural protein 5A | 5 |
| 34213340 | 10.1021/acs.jmedchem.1c00790 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine