General
Preferred name
FURSULTIAMINE
Synonyms
Diteftin ()
Judolor ()
Alinamin F ()
Fursultiamine Hydrochloride ()
Thiamine tetrahydrofurfuryl disulfide ()
Alinamin-f ()
Fursultiamina ()
TTFD ()
Aliaron f ()
Fursultiamin ()
P&D ID
PD009154
CAS
2105-43-3
804-30-8
10238-39-8
Tags
available
drug
Drug Status
approved
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Fursultiamine is a vitamin B1 derivative, has anti-nociceptive and antineoplastic activity. Fursultiamine can be used for vitamin B1 deficiency, osteoarthritis (OA) and cancer research[1][2].
PRICE 110
DESCRIPTION Fursultiamine (Alinamin F) is a disulfide derivative of thiamine, or an allithiamine. It has potential uses in the treatment of vitamin B1 deficiency. (TargetMol Bioactive Compound Library)
Compound Sets
12
ChEMBL Drugs
CHEMBL1740659
DrugBank
DB08966
DrugBank Approved Drugs
DB08966
DrugCentral
1259
DrugCentral Approved Drugs
1259
Mcule NIBR MoA Box Subset
MCULE-9234783164
MedChem Express Bioactive Compound Library
HY-B2082
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
fursultiamine
TargetMol Bioactive Compound Library
T4552
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
398.14
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
1
cLogP
2.5
TPSA
101.57
Fraction CSP3
0.59
Chiral centers
1.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
Hepcidin antagonist
Target
Ferroportin
Mitochondrial Metabolism
NF-κB
VEGFR
Vitamin
Pathway
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Protein Tyrosine Kinase/RTK
NF-¦ÊB
Source data