Compound Detail
CHEMBL1651956
ALISPORIVIR 🧪 Phase III
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🧪 Phase III
C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(CC)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL1651956 |
| Name | ALISPORIVIR |
| Phase | Phase III |
| Structure Type | BOTH |
| InChI Key | OLROWHGDTNFZBH-XEMWPYQTSA-N |
25
Targets
74
Activities
4
Assay Types
4
PK Parameters
20
Publications
11
Known Names
5
Indications
1
Mechanisms
Molecular Properties
1216.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclophilin A inhibitor | INHIBITOR | Peptidyl-prolyl cis-trans isomerase A | ✓ | ✓ |
Indications
Hepatitis C Hepatitis C, Chronic Liver Diseases Severe Acute Respiratory Syndrome Kidney Failure, Chronic
Activity Summary
IC50 48 meas. best 8.15
EC50 21 meas. best 8.4
Kd 4 meas. best 9.0
Ki 1 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | Ki | 9.47 | 9.47 | 0.3 | 1 |
| Peptidyl-prolyl cis-trans isomerase B CHEMBL2075 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase F, mitochondrial CHEMBL3325306 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | Kd | 8.66 | 8.31 | 2.2 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 8.4 | 6.9093 | 4.0 | 15 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.15 | 6.92 | 7.0 | 26 |
| Nonstructural protein 5A CHEMBL3307224 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.8 | 7.8 | 15.8 | 3 |
| RNA-directed RNA polymerase CHEMBL4296320 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | IC50 | 7.24 | 6.11 | 58.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.2 | 7.2 | 63.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | IC50 | 6.75 | 6.425 | 180.0 | 2 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.3 | 6.19 | 500.0 | 2 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| Feline coronavirus CHEMBL612744 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Hepatitis B virus CHEMBL613497 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.21 | 5.13 | 6100.0 | 2 |
| SARS-CoV CHEMBL4303836 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| Simian immunodeficiency virus CHEMBL613499 | IC50 | 5.1 | 5.1 | 7970.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.08 | 5.08 | 8240.0 | 1 |
| ATP-binding cassette sub-family C member 2 CHEMBL5748 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 26888.19 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2798.32 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2664.49 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 486.66 | ng.hr.mL-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine