Synonyms | |
Status | |
Molecule Category | Free-form |
UNII | 8F5X4B082E |
EPA CompTox | DTXSID00168472 |
InChI Key | PPHTXRNHTVLQED-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C27H21ClFN3O2 | |
Molecular Weight | 473.94 | |
AlogP | 6.05 | |
Hydrogen Bond Acceptor | 3.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 3.0 | |
Polar Surface Area | 54.34 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 4.0 | |
Heavy Atoms | 34.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
Vasopressin V2 receptor antagonist | ANTAGONIST | PubMed PubMed Wikipedia |
Protein: Vasopressin V2 receptor Description: Vasopressin V2 receptor Organism : Homo sapiens P30518 ENSG00000126895 |
||||
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)
Vasopressin and oxytocin receptor
|
- | 1-91 | - | 2-90 | - |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL49429 | |
DrugBank | DB06666 | |
FDA SRS | 8F5X4B082E | |
Guide to Pharmacology | 2238 | |
PubChem | 172997 | |
SureChEMBL | SCHEMBL1649340 | |
ZINC | ZINC000000600399 |