General
Preferred name
TRICARBALLYLIC ACID
Synonyms
β-Carboxyglutaric acid ()
1,2,3-Propanetricarboxylic acid ()
Carballylic acid ()
Propane-1,2,3-tricarboxylic acid ()
??Carboxyglutaric acid ()
¦Â-Carboxyglutaric acid ()
P&D ID
PD006001
CAS
850848-65-6
99-14-9
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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 Tricarballylic acid is an orally active compound that can be produced by rumen microorganisms and has the activity of chelating magnesium. Tricarballylic acid is also a competitive inhibitor of aconitate hydratase, with a Ki value of 0.52 mM. Tricarballylic acid can inhibit the oxidation of acetate in the citric acid cycle and can be used in the research of ruminant tissue metabolism and grass tetany syndrome. In addition, Tricarballylic acid can be used to synthesize specific complexes and produce plasticizers[1][2][3][4].
PRICE 29
DESCRIPTION Tricarballylic acid (Carballylic acid) is an inhibitor of aconitase. (TargetMol Bioactive Compound Library)
Compound Sets
5
DrugBank
DB04562
DrugMAP
DMLKWTG
MedChem Express Bioactive Compound Library
HY-W020215
Selleckchem Bioactive Compound Library
tricarballylic-acid
TargetMol Bioactive Compound Library
T5564
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
176.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.36
TPSA
111.9
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
0.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
aconitase
Mitochondrial Metabolism
Endogenous Metabolite
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data