General
Preferred name
THEANINE
Synonyms
THEANINE POTASSIUM ()
L-Glutamic Acid ¦Ã-ethyl amide ()
N¦Ã-Ethyl-L-glutamine ()
L-Theanine ()
L-Glutamic Acid γ-ethyl amide ()
Nγ-Ethyl-L-glutamine ()
L-theanine ()
NSC-21308 ()
P&D ID
PD069913
CAS
3081-61-6
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 3
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
9
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
174.1
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.69
TPSA
92.42
Fraction CSP3
0.71
Chiral centers
1.0
Largest ring
0.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
glutamate receptor antagonist
Pathway
Apoptosis
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Endogenous Metabolite
Reactive Oxygen Species
Source data
