Rolapitant
Rolapitant is a selective and long-acting neurokinin 1 (NK1) receptor antagonist that blocks substance P binding to NK1 receptors in the central and peripheral nervous system, preventing delayed emesis triggered by chemotherapy-induced release of substance P in the gut and brainstem. It is approved as an antiemetic for prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic chemotherapy.
分子量
500.5000 g/mol
LogP
4.40
TPSA
50.40 Ų
リピンスキーの五則
適合
作用機序
Competitively binds to its target receptor without activating it, blocking the natural ligand from binding and preventing receptor-mediated signaling.
Pharmacokinetics (PK)
Pharmacodynamics (PD)
Competitively binds to its target receptor without activating it, blocking the natural ligand from binding and preventing receptor-mediated signaling.
2D構造
Cite this structure
Embed this structure
SMILES
C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI
InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1
Molecular Formula
C25H26F6N2O2
HBD / HBA
2 / 9
回転可能結合数
5
重原子数
35
No targets recorded
Target interaction data is not yet available for this drug.
No interactions recorded
Drug interaction data is not yet available for this compound.
No side effects recorded
Side effect data is not yet available for this drug.
よくある質問
Rolapitant is a selective and long-acting neurokinin 1 (NK1) receptor antagonist that blocks substance P binding to NK1 receptors in the central and peripheral nervous system, preventing delayed emesis triggered by chemotherapy-induced release of substance P in the gut and brainstem. It is approved as an antiemetic for prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic chemotherapy.
Competitively binds to its target receptor without activating it, blocking the natural ligand from binding and preventing receptor-mediated signaling.
Yes, Rolapitant is an approved drug. It has reached clinical phase 4. It is classified as a Small molecule.
References & Data Sources
- ChEMBL — European Bioinformatics Institute (EBI). CHEMBL3707331. Open-access bioactivity database.
- PubChem — National Center for Biotechnology Information (NCBI). CID 10311306. Chemical information database.
Data aggregated from publicly available pharmacological databases. Last updated 2026-03-28.
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