macitentan
macitentan
SMILES | CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br |
InChIKey | JGCMEBMXRHSZKX-UHFFFAOYSA-N |
Chemical Properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 586.0 |
Database connections
Structure pdb | 8XVJ |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
macitentan
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Clinical Trials
Phase I
2
Phase II
4
Phase III
5
Approved
Yes
Database connections
Structure pdb | 8XVJ |
Sankey plot
Drug Information
Target | Disease | Phase | ||||||||
---|---|---|---|---|---|---|---|---|---|---|
Gene | Protein | Receptor family | Ligand type | Class | Indication name | ICD11 | ATC | Association score | Phase | Approved |