tradipitant

Ligand id: 9278

Name: tradipitant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 73.56
Molecular weight 587.09
XLogP 8.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanone
International Nonproprietary Names
INN number INN
9996 tradipitant
Synonyms
LY-686017 | LY686017 | VLY-686
Comments
Tradipitant is an orally available antagonist of the NK1 subtype of tachykinin receptors. It is Example 132 claimed in patent WO2003091226 [1]. Tradipitant is being investigated for potential anti-pruritic action in patients with atopic dermatitis.
Database Links
CAS Registry No. 622370-35-8 (source: WHO INN record)
GtoPdb PubChem SID 318164797
PubChem CID 9916461
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