Molecule Details
| InChIKey | OLROWHGDTNFZBH-XEMWPYQTSA-N |
|---|---|
| Compound Name | Alisporivir |
| Canonical SMILES | 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 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.56 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12139 |
|---|---|
| Drug Name | Alisporivir |
| CAS Number | 254435-95-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Alisporivir has been used in trials studying the treatment of Hepatitis C and Chronic Hepatitis C. |
Categories: Amino Acids, Peptides, and Proteins Cyclosporin Derivatives Peptides Peptides, Cyclic
Cross-references: BindingDB: 50339127 CHEMBL1651956 ChemSpider: 9688467 PubChem:11513676 PubChem:347828436 Wikipedia: Alisporivir
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23284 | PPIB | Homo sapiens | Human | PF00160 | 9.0 | Kd | ChEMBL;BindingDB |
| P30405 | PPIF | Homo sapiens | Human | PF00160 | 9.0 | Kd | ChEMBL;BindingDB |
| P62937 | PPIA | Homo sapiens | Human | PF00160 | 8.7 | Kd | ChEMBL;BindingDB |
| O95342 | ABCB11 | Homo sapiens | Human | PF00664 PF00005 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q9NPD5 | SLCO1B3 | Homo sapiens | Human | PF07648 PF03137 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q9Y6L6 | SLCO1B1 | Homo sapiens | Human | PF07648 PF03137 | 6.4 | IC50 | ChEMBL;BindingDB |
| P08183 | ABCB1 | Homo sapiens | Human | PF00664 PF00005 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P49069 | P49069 | Guided entry of tail-anchored proteins factor CAMLG | inhibitor | targets |