General
Preferred name
MELDONIUM
Synonyms
Quaterin ()
Kvaterin ()
Mildronate ()
Mildronate dihydrate ()
Meldonium (dihydrate) ()
MET-88 ()
MET-88 (dihydrate) ()
Quaterin (dihydrate) ()
Quaterine ()
Mildronate (hydrate) ()
P&D ID
PD040924
CAS
76144-81-5
86426-17-7
802032-35-5
Tags
available
drug
Drug Status
experimental
investigational
approved
Max Phase
Phase 2
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
146.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
-1.66
TPSA
52.16
Fraction CSP3
0.83
Chiral centers
0.0
Largest ring
0.0
QED
0.38
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Dopamine ??-hydroxylase
GBB hydroxylase
Dopamine ¦Â-hydroxylase
Mitochondrial Metabolism
MOA
Hydroxylase inhibitor
Source data