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CHEBI:747212 - tradipitant

Default Structure
ChEBI IDCHEBI:747212
ChEBI Nametradipitant
Stars
DefinitionA substance P receptor antagonist, indicated for the prevention of vomiting induced by motion.
Last Modified21 January 2026
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC28H16ClF6N5O
Net Charge0
Average Mass587.911
Monoisotopic Mass587.09476
SMILESO=C(c1ccccc1Cl)c1cccnc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1
InChIInChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
InChIKeyCAVRKWRKTNINFF-UHFFFAOYSA-N
Roles Classification
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
Applications:
dermatologic drug  A drug used to treat or prevent skin disorders or for the routine care of skin.
gastrointestinal drug  A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion.
ChEBI Ontology
Outgoing Relation(s)
tradipitant (CHEBI:747212) has role antiviral agent (CHEBI:22587)
tradipitant (CHEBI:747212) has role dermatologic drug (CHEBI:50177)
tradipitant (CHEBI:747212) has role gastrointestinal drug (CHEBI:55324)
tradipitant (CHEBI:747212) is a organic molecular entity (CHEBI:50860)
INN  Source
tradipitantWHO MedNet
Synonyms  Source
LY-686017ChEMBL
LY686017ChEMBL
VLY-686ChEMBL
Manual XrefsDatabases
D11728KEGG DRUG
DB12580DrugBank
Registry NumbersSources
CAS:622370-35-8KEGG DRUG