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Details

Stereochemistry ACHIRAL
Molecular Formula C28H16ClF6N5O
Molecular Weight 587.903
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRADIPITANT

SMILES

FC(F)(F)C1=CC(=CC(CN2N=NC(=C2C3=CC=NC=C3)C4=NC=CC=C4C(=O)C5=C(Cl)C=CC=C5)=C1)C(F)(F)F

InChI

InChIKey=CAVRKWRKTNINFF-UHFFFAOYSA-N
InChI=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

HIDE SMILES / InChI

Molecular Formula C28H16ClF6N5O
Molecular Weight 587.903
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Tradipitant is a neurokinin 1 receptor antagonist. The dose of 50 mg of tradipitant given orally for 4 weeks was not superior to placebo in reducing itch intensity in patients with atopic dermatitis. However, in a subsequent study, in which a higher dose (85 mg) was administered for 8 weeks, significant antipruritic effect compared with placebo was recorded. Tradipitant is in phase III clinical trial for the treatment of atopic dermatitis and gastroparesis. Vanda Pharmaceuticals plans a phase III trial in Motion Sickness in 2019.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
NK-1 Receptor Antagonists and Pruritus: Review of Current Literature.
2019 Sep
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 16 21:01:50 UTC 2022
Edited
by admin
on Fri Dec 16 21:01:50 UTC 2022
Record UNII
NY0COC51FI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRADIPITANT
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
Tradipitant [WHO-DD]
Common Name English
(2-(1-(3,5-BIS(TRIFLUOROMETHYL)BENZYL)-5-PYRIDIN-4-YL-1H-1,2,3-TRIAZOL-4-YL)PYRIDIN-3-YL)(2-CHLOROPHENYL)METHANONE
Systematic Name English
LY686017
Code English
TRADIPITANT [USAN]
Common Name English
METHANONE, (2-(1-((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)-5-(4-PYRIDINYL)-1H-1,2,3-TRIAZOL-4-YL)-3-PYRIDINYL)(2-CHLOROPHENYL)-
Systematic Name English
LY-686017
Code English
VLY-686
Code English
tradipitant [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C78284
Created by admin on Fri Dec 16 21:01:50 UTC 2022 , Edited by admin on Fri Dec 16 21:01:50 UTC 2022
Code System Code Type Description
FDA UNII
NY0COC51FI
Created by admin on Fri Dec 16 21:01:50 UTC 2022 , Edited by admin on Fri Dec 16 21:01:50 UTC 2022
PRIMARY
USAN
CD-17
Created by admin on Fri Dec 16 21:01:50 UTC 2022 , Edited by admin on Fri Dec 16 21:01:50 UTC 2022
PRIMARY
WIKIPEDIA
Tradipitant
Created by admin on Fri Dec 16 21:01:50 UTC 2022 , Edited by admin on Fri Dec 16 21:01:50 UTC 2022
PRIMARY
DRUG BANK
DB12580
Created by admin on Fri Dec 16 21:01:50 UTC 2022 , Edited by admin on Fri Dec 16 21:01:50 UTC 2022
PRIMARY
PUBCHEM
9916461
Created by admin on Fri Dec 16 21:01:50 UTC 2022 , Edited by admin on Fri Dec 16 21:01:50 UTC 2022
PRIMARY
ChEMBL
CHEMBL3544984
Created by admin on Fri Dec 16 21:01:50 UTC 2022 , Edited by admin on Fri Dec 16 21:01:50 UTC 2022
PRIMARY
NCI_THESAURUS
C152707
Created by admin on Fri Dec 16 21:01:50 UTC 2022 , Edited by admin on Fri Dec 16 21:01:50 UTC 2022
PRIMARY
INN
9996
Created by admin on Fri Dec 16 21:01:50 UTC 2022 , Edited by admin on Fri Dec 16 21:01:50 UTC 2022
PRIMARY
CAS
622370-35-8
Created by admin on Fri Dec 16 21:01:50 UTC 2022 , Edited by admin on Fri Dec 16 21:01:50 UTC 2022
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
ANTAGONIST
Related Record Type Details
ACTIVE MOIETY