General
Preferred name
THIAMINE
Synonyms
THIAMINE HYDROCHLORIDE ()
Thiamine (vit b1) ()
Thiaminum ()
THIAMINE CHLORIDE ()
Thiamine chloride hydrochloride ()
Vitamin B1 hydrochloride ()
Thiamine HCl ()
Vitamin B1 ()
THIAMINE ION ()
THIAMINE HYDROCHLORIDE (Vitamin B1) ()
[3H]thiamine ()
Thiamine monochloride ()
Thiamine nitrate ()
Thiamine (hydrochloride) ()
Thiamine HCl (Vitamin B1) ()
THIAMINE MONONITRATE ()
Vitamin B1 nitrate ()
Thiamine chloride (hydrochloride) ()
Vitamin B1 (hydrochloride) ()
Vit B1 Thiamin ()
NSC-36226 ()
Betalin S ()
Vit B1 ()
Bevitol ()
Bevitine ()
Thiamine chloride, hydrochloride ()
Thiaminum hydrochloricum ()
Betamin ()
Eskaphen ()
Thymine hydrochloride ()
Tyvera ()
Aneurine hydrochloride ()
Thiamini hydrochloridum ()
thiamine disulfide ()
Benerva ()
Clotiamina ()
FEMA NO. 3322 ()
Betaxin ()
Vitamin B 1 ()
Vitamin b-1 ()
Oryzanin ()
Vitaneurin ()
Thiacoat ()
Bethiamin ()
Beivon ()
Aneurine ()
Thiamin ()
Apatate drape ()
Aneurine mononitrate ()
Betabion mononitrate ()
Vitamin B1 Mononitrate ()
Vitamin b1 (as thiamine nitrate) ()
Thiamini mononitras ()
Thiamin mononitrate ()
Thiamine nitrate (salt) ()
Thiamine (nitrate) ()
P&D ID
PD010200
CAS
108631-50-1
100660-17-1
59-43-8
67-03-8
70-16-6
532-43-4
Tags
available
drug candidate
drug
Approved by
FDA
First approval
1993
1985
Drug Status
nutraceutical
investigational
approved
vet_approved
Drug indication
Vitamin (enzyme co-factor)
Discovery agent
Vitamin B1 deficiency
Max Phase
Phase 4
Phase 3
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
MOA It is thought that the mechanism of action of thiamine on endothelial cells is related to a reduction in intracellular protein glycation by redirecting the glycolytic flux. Thiamine is mainly the transport form of the vitamin, while the active forms are phosphorylated thiamine derivatives. Natural derivatives of thiamine phosphate, such as thiamine monophosphate (ThMP), thiamine diphosphate (ThDP), also sometimes called thiamine pyrophosphate (TPP), thiamine triphosphate (ThTP), and thiamine triphosphate (AThTP), that act as coenzymes in addition to their each unique biological functions.
DESCRIPTION Approved as a nutraceutical by the FDA as thiamine hydrochloride in 1972, no prior history available. (GtoPdb)
Compound Sets
25
Cayman Chemical Bioactives
25656
25332
ChEMBL Approved Drugs
CHEMBL1200941
CHEMBL1547
CHEMBL1588
ChEMBL Drugs
CHEMBL1200941
CHEMBL1547
CHEMBL1588
CHEMBL2104496
Concise Guide to Pharmacology 2017/18
4628
4629
Concise Guide to Pharmacology 2019/20
4628
4629
Concise Guide to Pharmacology 2021/22
4628
4629
Concise Guide to Pharmacology 2023/24
4628
4629
Drug Repurposing Hub
DrugBank
DB00152
DrugBank Approved Drugs
DB00152
DrugCentral
2832
DrugCentral Approved Drugs
2832
DrugMAP
DMSHW2E
DMZ1WXJ
DrugMAP Approved Drugs
DMZ1WXJ
DrugMatrix
Enamine BioReference Compounds
Guide to Pharmacology
4628
4629
MedChem Express Bioactive Compound Library
HY-N0680
HY-A0100
HY-B2223
NCATS Inxight Approved Drugs
4ABT0J945J
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
thiamine-hcl-vitamin-b1
thiamine-monochloride
thiamine-nitrate
TargetMol Bioactive Compound Library
T0894
The Spectrum Collection
External IDs
101
Properties
(calculated by RDKit )
Molecular Weight
265.11
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
0.61
TPSA
75.91
Fraction CSP3
0.42
Chiral centers
0.0
Largest ring
6.0
QED
0.79
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Anti-infection
Metabolic Enzyme/Protease
Apoptosis
Target
VB1
SLC19A2, SLC19A3, TPK1
Bacterial
Endogenous Metabolite
HBV
Vitamin
MOA
Vitamin inhibitor
vitamin B
Indication
thiamine deficiency
Therapeutic Class
Vitamins
Source data