Thiamine Ion
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Also known as ThiamineVitamin B1THIAMINE HYDROCHLORIDE
Summary
Thiamine Ion (CHEMBL1547) is an approved small molecule targeting SLC19A2 and SLC19A3.
At a glance
- Status: Approved (max clinical phase 4)
- Modality: Small molecule
- Targets: 2 (SLC19A2, SLC19A3)
- Clinical trials: 61
- Chemistry: 265.36 Da · C12H17N4OS+
Identifiers
Drug identity and classification
| Field | Value |
|---|---|
| ChEMBL ID | CHEMBL1547 |
| Name | Thiamine Ion |
| Type | Small molecule |
| Max phase | 4 |
| FDA approved | yes |
| PubChem CID | 1130 |
| ChEBI | CHEBI:18385 |
| Molecular formula | C12H17N4OS+ |
| Molecular weight | 265.36 |
| InChIKey | JZRWCGZRTZMZEH-UHFFFAOYSA-N |
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO
IUPAC name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
ChEBI definition: A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.
Other ChEBI roles (chemical / environmental): human metabolite, Saccharomyces cerevisiae metabolite, Escherichia coli metabolite, mouse metabolite.
Also known as: Thiamine ion, Thiamine, Vitamin B1, THIAMINE, THIAMINE HYDROCHLORIDE, thiamine, THIAMINE ION
Parent form; salt/anhydrous children: CHEMBL1588, CHEMBL1200941, CHEMBL2104496
Patent coverage: 40,777 distinct patent families (101,389 SureChEMBL compound mentions), from 3 matched compound structure(s). One matched structure accounts for 99,844 (98%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.
Targets
Targets
Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).
| Gene | Target | Action | pAffinity | Cancer dependency | UniProt |
|---|---|---|---|---|---|
| SLC19A2 | Thiamine transporter 1 | 1% | O60779 | ||
| SLC19A3 | Thiamine transporter 2 | 3.6% | Q9BZV2 |
Broader ChEMBL bioactivity targets: 2 (assay-derived). Sample: Heat shock protein HSP 90-alpha, Thiamine transporter ThiT.
Bioactivity
ChEMBL activities: 6 potent at pChembl ≥ 5 of 8 total. Top 100 by potency (10 = 0.1 nM, 6 = 1 µM):
| Target | pChembl | Type | Value | Unit | Activity ID |
|---|---|---|---|---|---|
| A2RI47 | 9.91 | Kd | 0.12 | nM | CHEMBL_ACT_18741958 |
| A2RI47 | 9.46 | Kd | 0.35 | nM | CHEMBL_ACT_18741971 |
| A2RI47 | 8.66 | Kd | 2.21 | nM | CHEMBL_ACT_18741972 |
| A2RI47 | 7.87 | Kd | 13.6 | nM | CHEMBL_ACT_18741975 |
| A2RI47 | 7.83 | Kd | 14.9 | nM | CHEMBL_ACT_18741976 |
| A2RI47 | 5.44 | Kd | 3650 | nM | CHEMBL_ACT_18741974 |
Target pathways
Aggregated over 2 target gene(s): SLC19A2, SLC19A3.
Top Reactome pathways
4 total, by targets touching each:
| Pathway | Targets | Genes |
|---|---|---|
| Metabolism | 2 | SLC19A2, SLC19A3 |
| Vitamin B1 (thiamin) metabolism | 2 | SLC19A2, SLC19A3 |
| Metabolism of water-soluble vitamins and cofactors | 2 | SLC19A2, SLC19A3 |
| Metabolism of vitamins and cofactors | 2 | SLC19A2, SLC19A3 |
Dominant GO biological processes
| GO term | Targets |
|---|---|
| thiamine diphosphate biosynthetic process | 2 |
| thiamine transport | 2 |
| pyridoxine transport | 2 |
| thiamine-containing compound metabolic process | 2 |
| thiamine transmembrane transport | 2 |
| vitamin transmembrane transport | 2 |
| vitamin transport | 2 |
| transmembrane transport | 2 |
| spermatogenesis | 1 |
| folic acid transport | 1 |
Indications & clinical
Indications
0 indication records carry no mapped disease name (EFO/MeSH-only); none shown.
Clinical trials
Total trials: 61.
Phase distribution
| Phase | Trials |
|---|---|
| Not specified | 22 |
| PHASE2 | 12 |
| PHASE4 | 11 |
| PHASE3 | 5 |
| PHASE1 | 5 |
| EARLY_PHASE1 | 4 |
| PHASE2/PHASE3 | 1 |
| PHASE1/PHASE2 | 1 |
Top trials by phase / activity
| NCT | Phase | Status | Title |
|---|---|---|---|
| NCT00959075 | PHASE4 | COMPLETED | A Trial of Thiamin Supplementation in Patients With Heart Failure |
| NCT02415777 | PHASE4 | COMPLETED | Clinical Trial to Evaluate the Efficacy and Safety of ‘URSA SOFT CAP. (UDCA-003)’ in Fatigue Patients With Liver Dysfunction |
| NCT02418130 | PHASE4 | COMPLETED | A Multi-center, Randomized, Double-blind, Placebo-controlled Trial to Evaluate the Efficacy and Safety of ‘Ursa Complex Soft Cap. (UDCA-004)’ in Patients With Physical Fatigue. |
| NCT02464865 | PHASE4 | COMPLETED | Thiamin Deficiency in Obese Thai Children |
| NCT02788552 | PHASE4 | COMPLETED | Optimum Thiamine Intervention (OpTIn) Trial |
| NCT03306732 | PHASE4 | COMPLETED | Thiamine Supplementation in High Risk Cardiac Surgery Patients |
| NCT03335124 | PHASE4 | TERMINATED | The Effect of Vitamin C, Thiamine and Hydrocortisone on Clinical Course and Outcome in Patients With Severe Sepsis and Septic Shock |
| NCT03634735 | PHASE4 | COMPLETED | Thiamin Against Robust IBD Fatigue |
| NCT03746106 | PHASE4 | COMPLETED | The Effect of SLC19A3 Inhibition on the Pharmacokinetics of Thiamine |
| NCT04641104 | PHASE4 | COMPLETED | The Thiamine Administration After Cardiac Surgery Trial |
| NCT04893993 | PHASE4 | UNKNOWN | PBC Induced Fatigue Treated With Thiamine |
| NCT00515736 | PHASE3 | TERMINATED | Impact Of Antioxidant Micronutrients On Intensive Care Unit (ICU) Outcome |
| NCT00861523 | PHASE3 | TERMINATED | Does Thiamine Help Vomiting and Nausea in Pregnancy? |
| NCT01115504 | PHASE3 | COMPLETED | Thiamine Supplementation in Heart Failure Patients Receiving Full Medical Therapy |
| NCT03389555 | PHASE2/PHASE3 | COMPLETED | Ascorbic Acid, Corticosteroids, and Thiamine in Sepsis (ACTS) Trial |
| NCT03509350 | PHASE3 | COMPLETED | Vitamin C, Thiamine, and Steroids in Sepsis |
| NCT03872011 | PHASE3 | COMPLETED | Vitamin C, Thiamine and Hydrocortisone for the Treatment of Septic Shock |
| NCT00680706 | PHASE2 | COMPLETED | Thiamine and Acute Decompensated Heart Failure: Pilot Study |
| NCT01070810 | PHASE1/PHASE2 | COMPLETED | Thiamine as a Metabolic Resuscitator in Septic Shock |
| NCT01985685 | PHASE2 | COMPLETED | The Effect of Thiamine vs. Placebo on VO2 in Critical Illness |
| NCT02322892 | PHASE2 | COMPLETED | Thiamine as an Adjunctive Therapy in Cardiac Surgery |
| NCT02974257 | PHASE2 | TERMINATED | Thiamine vs. Placebo to Increase Oxygen Consumption After Cardiac Arrest |
| NCT03263442 | PHASE2 | COMPLETED | High Dose Intravenous Thiamine for the Prevention of Delirium in Allogeneic Hematopoietic Stem Cell Transplantation |
| NCT03333278 | PHASE2 | COMPLETED | The Vitamin C, Hydrocortisone and Thiamine in Patients With Septic Shock Trial |
| NCT03422159 | PHASE2 | COMPLETED | Metabolic Resuscitation Using Ascorbic Acid, Thiamine, and Glucocorticoids in Sepsis. |
| NCT03509662 | PHASE2 | COMPLETED | Vitamin C in Post-cardiac Arrest |
| NCT03550794 | PHASE2 | COMPLETED | Thiamine as a Renal Protective Agent in Septic Shock |
| NCT03592277 | PHASE2 | COMPLETED | Vitamin C & Thiamine to Treat Sepsis and Septic Shock |
| NCT03756220 | PHASE2 | COMPLETED | Ascorbic Acid and Thiamine Effect in Septic Shock |
| NCT04999137 | PHASE2 | UNKNOWN | Evaluation of Safety and Dosing of a Vitamin C Bundle for Sepsis Treatment in Africa |
| NCT01381354 | PHASE1 | COMPLETED | Nutrition, Neuromuscular Electrical Stimulation (NMES) and Secondary Progressive Multiple Sclerosis (SPMS) |
| NCT01433952 | PHASE1 | COMPLETED | Pharmacokinetics of Oral Thiamine |
| NCT01864057 | PHASE1 | COMPLETED | Pharmacokinetics of Thiamine in Breastfeeding Mothers and Infants |
| NCT03122678 | PHASE1 | WITHDRAWN | Thiamine Supplementation in Patients With Septic Shock |
| NCT03228030 | PHASE1 | COMPLETED | Thiamine Supplementation in Heart Failure: a Pilot Randomized Controlled Crossover Trial |
| NCT06322212 | EARLY_PHASE1 | RECRUITING | Type 2 Diabetes and Blood Brain Barrier Improvement |
| NCT06326996 | EARLY_PHASE1 | RECRUITING | Thiamine Intervention and Coronary Artery Bypass Grafting |
| NCT03432572 | EARLY_PHASE1 | COMPLETED | Investigating Oral Agents for Urine Staining to Facilitate Intraoperative Observation of Ureteral Jets |
| NCT06298344 | EARLY_PHASE1 | COMPLETED | The Role of Thiamine After Transcatheter Closure in Children With Left-to-Right Shunt Congenital Heart Disease |
| NCT06649825 | Not specified | ENROLLING_BY_INVITATION | Efficacy of Vitamin B1 in Familial Adenomatous Polyposis Patients. |
| NCT06959251 | Not specified | RECRUITING | Glycine and Magnesium+Thiamine for the Treatment of Primary Ciliary Dyskinesia |
| NCT07046429 | Not specified | RECRUITING | Affect of Melatonin on Sleep and Cognition in Cirrhosis |
| NCT00031057 | Not specified | COMPLETED | Vitamin B Therapy for Hyperlactatemia |
| NCT00037063 | Not specified | WITHDRAWN | A Study to See if Certain Antioxidants and Vitamins Will Keep Lactate Levels Down in Patients Taking Anti-HIV Drugs |
| NCT00279266 | Not specified | WITHDRAWN | Oral Thiamine for the Treatment of Painful Diabetic Peripheral Neuropathy |
| NCT00770107 | Not specified | COMPLETED | Thiamine Supplementation to Improve Cardiac Function in Patients With Congestive Heart Failure |
| NCT01462279 | Not specified | COMPLETED | Effect of Thiamine on Oxygen Utilization (VO2) in Critical Illness |
| NCT02087462 | Not specified | UNKNOWN | Electroacupuncture for Sciatica Due to Intervertebral Disc Displacement |
| NCT02767245 | Not specified | COMPLETED | Thiamine Supplement in Patients With Severe Hyperthyroidism |
| NCT03258684 | Not specified | COMPLETED | Hydrocortisone, Vitamin C, and Thiamine for the Treatment of Sepsis and Septic Shock |
| NCT03540628 | Not specified | COMPLETED | Thiamine, Vitamin C and Hydrocortisone in the Treatment of Septic Shock |
| NCT03626337 | Not specified | COMPLETED | Thiamine Responsive Disorders (TRD) Among Infants in Lao PDR |
| NCT03649009 | Not specified | UNKNOWN | Thiamine As An Adjuvant Therapy For Hyperlactatemia In Septic Shock Patients |
| NCT04137276 | Not specified | COMPLETED | Effect of Intravenous Vitamin C on SOFA Score Among Septic Patients |
| NCT04160676 | Not specified | COMPLETED | Therapy With Hydrocortisone, Ascorbic Acid, Thamine in Patients With Sepsis |
| NCT04214106 | Not specified | COMPLETED | Thiamine Administration and Prevalence of Delirium in the Intensive Care Unit: A Before-after Study |
| NCT04651205 | Not specified | SUSPENDED | B1 and Magnesium Supplements on Glucose Metabolism in Low-carb Dieters |
| NCT04977557 | Not specified | COMPLETED | Thiamine in Patients With Clinically Suspected Dry Beriberi |
| NCT05385042 | Not specified | COMPLETED | Iron and Immune Response to Vaccine (IRONMUM) |
| NCT05480943 | Not specified | COMPLETED | Prevalence of Thiamine Deficiency in Hospitalized Non-Alcoholic Veterans |
| NCT05585346 | Not specified | COMPLETED | Photobiomodulation Therapy for Idiopathic Facial Paralysis |
Clinical evidence (CIViC)
No CIViC predictive evidence (expected for non-precision-medicine drugs).
Pharmacology
Pharmacogenomics
No CPIC/DPWG dosing guideline or drug-level clinical/variant annotations in PharmGKB for this molecule.
Related molecules
Related molecules
Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.
1 molecules share ≥1 primary target. Top 1 by shared-target count:
| Molecule | Source | Status | Shared targets |
|---|---|---|---|
| AMPROLIUM | ChEMBL + PubChem | Phase 2 (approved) | SLC19A2 |