General
Preferred name
TRICARBALLYLIC ACID
Synonyms
Carballylic acid ()
1,2,3-Propanetricarboxylic acid ()
??-Carboxyglutaric acid ()
Propane-1,2,3-tricarboxylic acid ()
??Carboxyglutaric acid ()
P&D ID
PD006001
CAS
99-14-9
850848-65-6
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
DrugBank
DrugMAP
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
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
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
aconitase
Endogenous Metabolite
Mitochondrial Metabolism
Source data
