General
Preferred name
Oxaloacetic acid
Synonyms
2-Oxosuccinic acid ()
oxalacetic acid ()
Oxaloacetic acid, 2-Oxosuccinic acid, Ketosuccinic acid ()
Oxaloacetate Ion ()
Oxosuccinic acid ()
Anhydrous enol-oxaloacetate ()
NSC-77688 ()
Bioepg ()
OXALOACETATE ()
P&D ID
PD048333
CAS
328-42-7
Tags
available
drug candidate
covalent binder
Drug indication
Discovery agent
Drug Status
experimental
investigational
Max Phase
2.0
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
14
Cayman Chemical Bioactives
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
51
Properties
(calculated by RDKit )
Molecular Weight
132.01
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.89
TPSA
91.67
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
0.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Human Endogenous Metabolite
Reactive Oxygen Species
acetyl-CoA carboxylase
MOA
Endogenous Metabolite
Source data
