General
Preferred name
Oxoadipic acid
Synonyms
2-Oxoadipic acid ()
Alpha-oxoadipic acid ()
α-oxoadipic acid ()
P&D ID
PD050354
CAS
3184-35-8
Tags
covalent binder
drug candidate
natural product
available
Drug indication
Discovery agent
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
10
Cayman Chemical Bioactives
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
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
160.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.11
TPSA
91.67
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
0.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
MOA
Endogenous Metabolite
Source data
