Synonyms | |
Status | |
Molecule Category | Free-form |
UNII | 33JD57L6RW |
EPA CompTox | DTXSID1057664 |
InChI Key | FEJVSJIALLTFRP-LJQANCHMSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C22H22N2O6 | |
Molecular Weight | 410.43 | |
AlogP | 2.92 | |
Hydrogen Bond Acceptor | 7.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 9.0 | |
Polar Surface Area | 100.0 | |
Molecular species | ACID | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 30.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
Endothelin receptor ET-A antagonist | ANTAGONIST | PubMed |
Protein: Endothelin receptor ET-B Description: Endothelin receptor type B Organism : Homo sapiens P24530 ENSG00000136160 |
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Protein: Endothelin receptor ET-A Description: Endothelin-1 receptor Organism : Homo sapiens P25101 ENSG00000151617 |
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Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Endothelin receptor
|
- | 1 | - | 371 | - |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL23261 | |
DrugBank | DB04883 | |
FDA SRS | 33JD57L6RW | |
Guide to Pharmacology | 3508 | |
PubChem | 177236 | |
SureChEMBL | SCHEMBL795084 | |
ZINC | ZINC000003826221 |