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CHEBI:177416 - Pexacerfont

Default Structure
ChEBI IDCHEBI:177416
ChEBI NamePexacerfont
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N6O
Net Charge0
Average Mass340.431
Monoisotopic Mass340.20116
SMILESCC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1
InChIKeyLBWQSAZEYIZZCE-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Applications:
anxiolytic drug  Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
Pexacerfont (CHEBI:177416) has role antidepressant (CHEBI:35469)
Pexacerfont (CHEBI:177416) has role antispasmodic drug (CHEBI:53784)
Pexacerfont (CHEBI:177416) has role anxiolytic drug (CHEBI:35474)
Pexacerfont (CHEBI:177416) is a pyrazolopyridine (CHEBI:46699)
IUPAC Name 
N-[(2R)-butan-2-yl]-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
INN  Source
pexacerfontWHO MedNet
Synonyms  Source
Bms562086ChEMBL
BMS-562086ChEMBL
CRF1 ANTAGONISTChEMBL
Dpc-a69448ChEMBL
Manual XrefsDatabases
8060040ChemSpider
D10022KEGG DRUG
DB12572DrugBank
Registry NumbersSources
CAS:459856-18-9ChemIDplus
Citations