thiamine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
	2832	59-43-8

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: thiamine vitamin B1 thiamine hydrochloride thiamine mononitrate thiamine (vit B1) thiamine HCl	3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride. Molecular weight: 265.35 Formula: C12H17N4OS CLOGP: -5.67 LIPINSKI: 0 HAC: 5 HDO: 2 TPSA: 75.91 ALOGS: -4.29 ROTB: 4 Status: OFP Legend: OFP - off patent OFM - off market ONP - on patent

Molecule

Description

Molfile Inchi Smiles

Synonyms:

thiamine
vitamin B1
thiamine hydrochloride
thiamine mononitrate
thiamine (vit B1)
thiamine HCl

3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride.

Molecular weight: 265.35
Formula: C12H17N4OS
CLOGP: -5.67
LIPINSKI: 0
HAC: 5
HDO: 2
TPSA: 75.91
ALOGS: -4.29
ROTB: 4

Status: OFP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

Dose	Unit	Route
50	mg	O
50	mg	P

ADMET properties:

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Property	Value	Reference
EoM (Fraction excreted unchanged in urine)	90 %	Benet LZ, Broccatelli F, Oprea TI
S (Water solubility)	500 mg/mL	Bocci G, Oprea TI, Benet LZ
MRTD (Maximum Recommended Therapeutic Daily Dose)	5.55 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability)	4.50 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
BDDCS (Biopharmaceutical Drug Disposition Classification System)	3	Benet LZ, Broccatelli F, Oprea TI

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Approvals:

Date	Agency	Company	Orphan
Dec. 29, 1993	FDA	HOSPIRA

FDA Adverse Event Reporting System (Female)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Pemphigus	1726.75	10.32	4403	535873	179323	62769423
Systemic lupus erythematosus	1626.69	10.32	4671	535605	204247	62744499
Glossodynia	1439.36	10.32	4048	536228	174828	62773918
Hand deformity	1172.81	10.32	3495	536781	155962	62792784
Arthropathy	1089.69	10.32	4416	535860	230376	62718370
Abdominal discomfort	1010.41	10.32	5387	534889	315498	62633248
Alopecia	1001.29	10.32	5575	534701	331961	62616785
Wound	971.12	10.32	3327	536949	159936	62788810
Completed suicide	941.64	10.32	80	540196	145593	62803153
Maternal exposure during pregnancy	866.53	10.32	3939	536337	216123	62732623

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FDA Adverse Event Reporting System (Male)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Rheumatoid arthritis	507.39	10.27	832	196495	37406	34722198
Drug abuse	379.79	10.27	54	197273	99042	34660562
Completed suicide	302.93	10.27	89	197238	98079	34661525
Toxicity to various agents	264.70	10.27	453	196874	199909	34559695
Foetal exposure during pregnancy	240.34	10.27	609	196718	37492	34722112
Arthralgia	214.87	10.27	1668	195659	168373	34591231
Psoriatic arthropathy	180.11	10.27	366	196961	19432	34740172
Drug interaction	145.68	10.27	718	196609	225228	34534376
Sickle cell anaemia with crisis	132.91	10.27	138	197189	3915	34755689
Joint swelling	124.60	10.27	667	196660	59223	34700381

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FDA Adverse Event Reporting System (Geriatric)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Completed suicide	1190.55	10.08	163	563457	245604	78935164
Rheumatoid arthritis	1153.30	10.08	3666	559954	204804	78975964
Toxicity to various agents	934.64	10.08	961	562659	420579	78760189
Arthropathy	911.98	10.08	3040	560580	174071	79006697
Pemphigus	900.10	10.08	2099	561521	97483	79083285
Systemic lupus erythematosus	885.86	10.08	2355	561265	118794	79061974
Joint swelling	876.29	10.08	4199	559421	284447	78896321
Hand deformity	866.59	10.08	2123	561497	101796	79078972
Synovitis	832.39	10.08	2650	560970	148084	79032684
Glossodynia	776.00	10.08	2029	561591	101308	79079460

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FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

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Source	Code	Description
ATC	A11DA01	ALIMENTARY TRACT AND METABOLISM VITAMINS VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12 Vitamin B1, plain
CHEBI has role	CHEBI:75771	Mus musculus metabolites
CHEBI has role	CHEBI:75772	S. cerevisiae metabolites
CHEBI has role	CHEBI:76971	Escherichia coli metabolites
CHEBI has role	CHEBI:77746	Homo sapiens metabolite
CHEBI has role	CHEBI:71692	insect repellents
MeSH PA	D018977	Micronutrients
MeSH PA	D014803	Vitamin B Complex
MeSH PA	D014815	Vitamins

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Drug Use | Suggest Off label Use Form| |View source of the data|

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Disease	Relation	SNOMED_ID	DOID
Korsakoff's psychosis	indication	69482004	DOID:10915
Pernicious anemia	indication	84027009	DOID:13381
Vitamin deficiency	indication	85670002
Mineral deficiency	indication	111379007
Cobalamin deficiency	indication	190634004
Thiamin deficiency	indication	399357009	DOID:0070313
Vitamin Deficiency Prevention	indication
Mineral Deficiency Prevention	indication
Prevention of Vitamin B12 Deficiency	indication
Methylmalonic acidemia	off-label use	42393006

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🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	4.94	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Thiamine transporter 1	Transporter	O60779	S19A2_HUMAN			WOMBAT-PK
Transketolase	Enzyme	P29401	TKT_HUMAN			WOMBAT-PK
Thiamin pyrophosphokinase 1	Kinase	Q9H3S4	TPK1_HUMAN			WOMBAT-PK
Thiamine-triphosphatase	Enzyme	Q9BU02	THTPA_HUMAN			WOMBAT-PK
Transketolase-like protein 1	Enzyme	P51854	TKTL1_HUMAN			WOMBAT-PK
Heat shock protein HSP 90-alpha	Cytosolic other	P07900	HS90A_HUMAN	IC50	4.90	CHEMBL
Thiamine transporter ThiT	Transporter		THIT_LACLM	Kd	9.91	CHEMBL

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External reference:

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ID	Source
VIB	PDB_CHEM_ID
001061	NDDF
001062	NDDF
003860	NDDF
10454	RXNORM
1096	MMSL
1130	PUBCHEM_CID
126228004	SNOMEDCT_US
126229007	SNOMEDCT_US
15466	MMSL

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Pharmaceutical products:

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Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
CitraNatal 90 DHA	HUMAN PRESCRIPTION DRUG LABEL	16	0178-0821	TABLET	3 mg	ORAL	unapproved drug other	11 sections
CitraNatal 90 DHA	HUMAN PRESCRIPTION DRUG LABEL	16	0178-0821	TABLET	4.54 mg	ORAL	unapproved drug other	11 sections
CitraNatal 90 DHA	HUMAN PRESCRIPTION DRUG LABEL	16	0178-0821	TABLET	3 mg	ORAL	unapproved drug other	11 sections
CitraNatal 90 DHA	HUMAN PRESCRIPTION DRUG LABEL	16	0178-0821	TABLET	4.54 mg	ORAL	unapproved drug other	11 sections
CitraNatal 90 DHA	HUMAN OTC DRUG LABEL	14	0178-0829	TABLET	3 mg	ORAL	Unapproved drug other	11 sections
CitraNatal DHA	HUMAN OTC DRUG LABEL	14	0178-0898	TABLET	3 mg	ORAL	Unapproved drug other	11 sections
CitraNatal Rx	HUMAN PRESCRIPTION DRUG LABEL	13	0178-0858	TABLET	3 mg	ORAL	Unapproved drug other	12 sections
CitraNatal Rx	HUMAN PRESCRIPTION DRUG LABEL	14	0178-0859	TABLET	3 mg	ORAL	Unapproved drug other	9 sections
Marnatal F	HUMAN PRESCRIPTION DRUG LABEL	13	0682-1570	CAPSULE	3 mg	ORAL	UNAPPROVED DRUG OTHER	4 sections
NataFort	HUMAN PRESCRIPTION DRUG LABEL	10	0178-0716	TABLET	2 mg	ORAL	Unapproved drug other	12 sections

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