macitentan

Ligand id: 7352

Name: macitentan

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View more information in the IUPHAR Pharmacology Education Project: macitentan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 136.6
Molecular weight 585.96
XLogP 3.23
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2013))
IUPAC Name
5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
International Nonproprietary Names
INN number INN
9018 macitentan
Synonyms
ACT-064992 | Opsumit®
Database Links
CAS Registry No. 441798-33-0 (source: SciFinder)
ChEMBL Ligand CHEMBL2103873
DrugBank Ligand DB08932
GtoPdb PubChem SID 178103924
PubChem CID 16004692
Search Google for chemical match using the InChIKey JGCMEBMXRHSZKX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JGCMEBMXRHSZKX
Search PubMed clinical trials macitentan
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Search UniChem for chemical match using the InChIKey JGCMEBMXRHSZKX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JGCMEBMXRHSZKX
Wikipedia Macitentan
Comments
Macitentan is an endothelin receptor antagonist (ERA). It exhibits approximately 50-fold selectivity for the ETA receptor over the ETB receptor [2].