General
Preferred name
TRADIPITANT
Synonyms
LY-686017 ()
VLY-686 ()
LY686017 ()
P&D ID
PD048243
CAS
622370-35-8
Tags
available
drug candidate
Drug indication
Alcohol dependence
Atopic dermatitis
Drug Status
investigational
Max Phase
Phase 3
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Tradipitant is an orally available antagonist of the NK1 subtype of tachykinin receptors. It is Example 132 claimed in patent WO2003091226 . Tradipitant is being investigated for potential anti-pruritic action in patients with atopic dermatitis. (GtoPdb)
DESCRIPTION Tradipitant, also known as VLY-686 and LY686017, is the 2nd generation neurokinin-1 receptor antagonist, which showed activity in preclinical anxiety models. LY686017 may be a possible therapy for alcoholism. LY686017 can be also served as a suitable chemical platform for future imaging ligand development. (last update: ) (BOC Sciences Bioactive Compounds)
Compound Sets
8
BOC Sciences Bioactive Compounds
tradipitant-cas-622370-35-8-item-84-462227
ChEMBL Drugs
CHEMBL3544984
Drug Repurposing Hub
DrugBank
DB12580
DrugMAP
DM7WORZ
Guide to Pharmacology
9278
MedChem Express Bioactive Compound Library
HY-16732
ReFrame library
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
587.09
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
5
cLogP
7.37
TPSA
73.56
Fraction CSP3
0.11
Chiral centers
0.0
Largest ring
6.0
QED
0.15
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
MOA
neurokinin receptor antagonist
Pathway
GPCR/G protein
Neuronal Signaling
Target
Neurokinin Receptor
Solubility
Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Source data