Aprepitant
A substance P/neurokinin-1 receptor antagonist that blocks signals in the brain that trigger nausea and vomiting, commonly used to prevent chemotherapy-induced and postoperative nausea. It is often combined with other antiemetic drugs for maximum effectiveness.
Peso Molecular
534,4000 g/mol
LogP
4,20
TPSA
75,20 Ų
Regra dos 5 de Lipinski
Reprovado
Áreas Terapêuticas
Mecanismo de Ação
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.
Estrutura 2D
Cite this structure
Embed this structure
SMILES
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI
InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
Molecular Formula
C23H21F7N4O3
HBD / HBA
2 / 12
Ligações Rotacionáveis
6
Átomos Pesados
37
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.
Perguntas frequentes
A substance P/neurokinin-1 receptor antagonist that blocks signals in the brain that trigger nausea and vomiting, commonly used to prevent chemotherapy-induced and postoperative nausea. It is often combined with other antiemetic drugs for maximum effectiveness.
Competitively binds to its target receptor without activating it, blocking the natural ligand from binding and preventing receptor-mediated signaling.
Yes, Aprepitant 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). CHEMBL1471. Open-access bioactivity database.
- PubChem — National Center for Biotechnology Information (NCBI). CID 135413536. Chemical information database.
Data aggregated from publicly available pharmacological databases. Last updated 2026-03-04.
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