General
Preferred name
BENFOTIAMINE
Synonyms
S-Benzoylthiamine O-monophosphate ()
Benzoylthiamine monophosphate ()
P&D ID
PD013316
CAS
22457-89-2
Tags
natural product
drug
available
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
7
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
466.11
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
2
cLogP
2.63
TPSA
155.94
Fraction CSP3
0.26
Chiral centers
0.0
Largest ring
6.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Others inhibitor
Antioxidant
Indication
lumbago
Target
AGER
Source data
