General
Preferred name
TDA
Synonyms
TCDA ()
10,12-Tricosadiynoic acid ()
P&D ID
PD127433
CAS
66990-30-5
Tags
available
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 10,12-Tricosadiynoic acid is a highly specific, selective, high affinity and orally active acyl-CoA oxidase-1 (ACOX1) inhibitor. 10,12-Tricosadiynoic acid can treat high fat diet- or obesity-induced metabolic diseases by improving mitochondrial lipid and ROS metabolism[1]. 10,12-Tricosadiynoic acid is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
PRICE 34
DESCRIPTION 10,12-Tricosadiynoic acid is a highly selective and orally active inhibitor of acyl-CoA oxidase-1 (ACOX1), which can treat high-fat diet- or obesity-induced metabolic diseases by improving mitochondrial lipid and ROS metabolism. (TargetMol Bioactive Compound Library)
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-135425
TargetMol Bioactive Compound Library
T10035
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
346.29
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
16
Ring Count
0
Aromatic Ring Count
0
cLogP
6.73
TPSA
37.3
Fraction CSP3
0.78
Chiral centers
0.0
Largest ring
0.0
QED
0.25
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
acyl-CoA oxidase-1
Acyltransferase
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data