Repositioning Candidate Details
| Candidate ID: | R1287 |
| Source ID: | DB09291 |
| Source Type: | approved; investigational |
| Compound Type: | small molecule |
| Compound Name: | Rolapitant |
| Synonyms: | Rolapitant |
| Molecular Formula: | C25H26F6N2O2 |
| SMILES: | C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)C1=CC=CC=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Structure: |
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| DrugBank Description: | Rolapitant is a potent, highly selective, long-acting Neurokinin-1 (NK-1) receptor antagonist approved for the prevention of delayed chemotherapy-induced nausea and vomiting (CINV) in adults. Delayed-phase CINV typically occurs >24 hours after chemotherapy treatment and is principally mediated by Neurokinin-1 and its ligand Substance P, which is released in the gut following chemotherapy administration. Neurokinin-1 is also known as Tachykinin Receptor 1 (TACR1), Neurokinin 1 Receptor (NK1R), and Substance P Receptor (SPR). By blocking Substance P from interacting with NK-1 receptors in the gut and the central nervous system, rolapitant prevents late-phase CINV. Unlike other available NK-1 receptor antagonists, rolapitant is not an inhibitor of Cytochrome P450 enzyme CYP3A4 and has a long elimination half-life, allowing a single dose to prevent both acute and late-phase CINV during the first 120 hours post-chemotherapy. |
| CAS Number: | 552292-08-7 |
| Molecular Weight: | 500.485 |
| DrugBank Indication: | This drug is indicated in adults in combination with other antiemetics for the prevention of delayed nausea and vomiting associated with emetogenic chemotherapy. |
| DrugBank Pharmacology: | -- |
| DrugBank MoA: | Rolapitant is an orally active, highly selective Neurokinin-1 Receptor (NK1R) antagonist. NK1 receptors are located primarily in the gut and central nervous system and are activated by Substance P following chemotherapy administration. By binding to the NK1 receptor, rolapitant prevents binding of its ligand Substance P, which is released in the gut following chemotherapy administration. |
| Targets: | Neurokinin 1 receptor antagonist |
| Inclusion Criteria: | Therapeutic strategy associated |
