Molecule Details
| InChIKey | RPJPZDVUUKWPGT-FOIHOXPVSA-N |
|---|---|
| Compound Name | (Melle-4)cyclosporin |
| Canonical SMILES | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H]([C@@H](C)CC)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) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.3 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13068 |
|---|---|
| Drug Name | 9-(N-methyl-L-isoleucine)-cyclosporin A |
| CAS Number | 143205-42-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | 9-(N-methyl-L-isoleucine)-cyclosporin A (NIM811) has been used in trials studying the treatment of Chronic Hepatitis C Genotype-1 Relapse. |
Categories: Amino Acids, Peptides, and Proteins Cyclosporins Immunosuppressive Agents Peptides Peptides, Cyclic
Cross-references: BindingDB: 50339126 CHEMBL1688529 ChemSpider: 4976066 PubChem:6473876 PubChem:347829196