General
Preferred name
Metadoxine
Synonyms
Metadoxil ()
Metasin ()
pyridoxine-pyrrolidone carboxylat ()
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat ()
P&D ID
PD087233
CAS
74536-44-0
Tags
natural product
drug
available
Drug indication
Multiple myeloma
Drug Status
experimental
approved
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
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
298.12
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
5
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
-0.57
TPSA
139.98
Fraction CSP3
0.46
Chiral centers
1.0
Largest ring
6.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Neuroscience
Stem Cell/Wnt
TGF-beta/Smad
Target
5-HT2B
PKA
5-HT Receptor
Source data
