Compound Detail
CHEMBL2105735
ASUNAPREVIR 💊 Approved Drug
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💊 Approved Drug
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Basic Information
| ChEMBL ID | CHEMBL2105735 |
| Name | ASUNAPREVIR |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XRWSZZJLZRKHHD-WVWIJVSJSA-N |
6
Targets
47
Activities
2
Assay Types
30
PK Parameters
20
Publications
5
Known Names
4
Indications
1
Mechanisms
Molecular Properties
748.3
MW (Da)
3.85
ALogP
10
HBA
3
HBD
182.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2014 |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Hepatitis C virus serine protease, NS3/NS4A inhibitor | INHIBITOR | Hepatitis C virus serine protease, NS3/NS4A | ✓ | ✓ |
Indications
Virus Diseases Hepatitis C Hepatitis C, Chronic Infections
ATC Classification
J05AP06
asunaprevir
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIVIRALS FOR SYSTEMIC USE
Activity Summary
IC50 24 meas. best 9.7
EC50 23 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.7 | 8.3262 | 0.2 | 13 |
| Hepatitis C virus CHEMBL379 | IC50 | 9.52 | 8.34 | 0.3 | 8 |
| Hepatitis C virus serine protease, NS3/NS4A CHEMBL2095231 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 9.0 | 7.9682 | 1.0 | 11 |
| NS3 CHEMBL1293269 | EC50 | 8.92 | 8.66 | 1.2 | 2 |
| Unchecked CHEMBL612545 | EC50 | 8.92 | 7.2067 | 1.2 | 9 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 748.3 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1646.26 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 486.39 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 748.3 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 897.96 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1646.26 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 486.39 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 404.08 | ng.hr.mL-1 | Mus musculus |
| AUC | 748.3 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1646.26 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 306.8 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 38.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 18.7 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 19.5 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 38.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 38.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 38.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 18.7 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 19.5 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 57.3 | ml.min/kg | Mus musculus |
| CL | 38.0 | ml.min/kg | Rattus norvegicus |
| CL | 18.7 | ml.min/kg | Canis lupus familiaris |
| CL | 18.3 | ml.min/kg | Macaca fascicularis |
| F | 12.0 | % | Rattus norvegicus |
| F | 61.0 | % | Canis lupus familiaris |
| F | 18.0 | % | Macaca fascicularis |
| F | 12.0 | % | Rattus norvegicus |
| F | 12.0 | % | Rattus norvegicus |
| F | 14.0 | % | Rattus norvegicus |
| F | 61.0 | % | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine