General
Preferred name
N-p-trans-Coumaroyltyramine
Synonyms
P-coumaric acid derivative 6 ()
Trans-N-Hydroxycinnamoyltyramine ()
N-P-COUMAROYL TYRAMINE ()
P&D ID
PD125670
CAS
111129-11-4
36417-86-4
Tags
available
drug candidate
Drug indication
Ephelides
Menkes disease
Albinism
Melasma
Senile lentigines
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 N-p-trans-Coumaroyltyramine is a natural phenolic amide compound and an inhibitor of AChE (IC50: 122 ¦ÌM) and ¦Á-glucosidase (IC50: 2.7 ¦ÌM). N-p-trans-Coumaroyltyramine also has anti-trypanosomal activity, with an IC50 of 13.3 ¦ÌM against T. brucei rhodesiense. N-p-trans-Coumaroyltyramine can be used in the research of diseases such as Alzheimer's disease[1][2][3].
PRICE 213
DESCRIPTION N-p-trans-Coumaroyltyramine is a natural product and an acetylcholinesterase (AChE) inhibitor with an IC50 of 122 ??M. It also exhibits anti-trypanosomal activity with an IC50 of 13.3 ??M for T. brucei rhodesiense.
DESCRIPTION N-p-trans-Coumaroyltyramine is a natural product and an acetylcholinesterase (AChE) inhibitor with an IC50 of 122 μM. It also exhibits anti-trypanosomal activity with an IC50 of 13.3 μM for T. brucei rhodesiense. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
1
Compound Sets
6
DrugMAP
DMF4YGC
Mcule NIBR MoA Box Subset
MCULE-7880334715
MedChem Express Bioactive Compound Library
HY-N2230
Novartis Chemogenetic Library (NIBR MoA Box)
Other bioactive compounds
TargetMol Bioactive Compound Library
TN1030
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
283.12
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
2.47
TPSA
69.56
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
AChE
Parasite
Cholinesterase (ChE)
Glycosidase
Member status
member
MOA
uncompetitive inhibitor
Pathway
Microbiology/virology
Neuroscience
Anti-infection
Metabolic Enzyme/Protease
Neuronal Signaling
Source data