General
Preferred name
PD053041
Synonyms
3-O-Methyldopa ()
3-O-Methyldopa (monohydrate) ()
3-Methoxy-L-tyrosine ()
3-O-Methyl-L-DOPA ()
3-Methoxy-L-tyrosine (monohydrate) ()
3-O-Methyl-L-DOPA (monohydrate) ()
3-O-methyl-L-DOPA (hydrate) ()
P&D ID
PD053041
CAS
300-48-1
200630-46-2
Tags
available
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()] ]]
Description
(extracted from source data)
DESCRIPTION
3-O-Methyldopa monohydrate (3-Methoxy-L-tyrosine monohydrate) is a significant metabolite of L-DOPA produced through the action of catechol O-methyltransferase (COMT). Unlike its precursor, 3-O-Methyldopa does not serve as a substrate or inhibitor of L-amino acid decarboxylase activity. Additionally, the inhibition of COMT can amplify the anti-Parkinson effects of L-DOPA.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Molecular Weight
211.08
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
0.36
TPSA
92.78
Fraction CSP3
0.3
Chiral centers
1.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Drug Derivative
Interleukin Related
COMT
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
Neuronal Signaling
Source data
