Bosentan
An endothelin receptor antagonist used to treat pulmonary arterial hypertension by relaxing and widening the blood vessels in the lungs. It blocks the action of endothelin, a potent substance that causes blood vessel constriction. It requires regular liver function monitoring and is teratogenic, requiring strict pregnancy prevention.
分子量
551.6000 g/mol
LogP
3.80
TPSA
154.00 Ų
Lipinski 五规则
不符合
治疗领域
作用机制
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.
二维结构
Cite this structure
Embed this structure
SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO
InChI
InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
Molecular Formula
C27H29N5O6S
HBD / HBA
2 / 11
可旋转键数
11
重原子数
39
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.
常见问题
An endothelin receptor antagonist used to treat pulmonary arterial hypertension by relaxing and widening the blood vessels in the lungs. It blocks the action of endothelin, a potent substance that causes blood vessel constriction. It requires regular liver function monitoring and is teratogenic, requiring strict pregnancy prevention.
Competitively binds to its target receptor without activating it, blocking the natural ligand from binding and preventing receptor-mediated signaling.
Yes, Bosentan 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). CHEMBL957. Open-access bioactivity database.
- PubChem — National Center for Biotechnology Information (NCBI). CID 104865. Chemical information database.
Data aggregated from publicly available pharmacological databases. Last updated 2026-03-04.
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