benfotiamine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
308 22457-89-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • benfotiamine
  • benfothiamine
  • benzoylthiamine monophosphate
  • betivina
  • bietamine
  • Molecular weight: 466.45
  • Formula: C19H23N4O6PS
  • CLOGP: -0.62
  • LIPINSKI: 0
  • HAC: 10
  • HDO: 3
  • TPSA: 155.94
  • ALOGS: -4.07
  • ROTB: 10

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GRK3,GSK3B,IGF1R,ITK,JAK2,JAK3,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 49
kinase-selectivity-class AXL,BRAF,CDK4,CDK9,EPHB4,ERBB2,GRK2,MAP2K6,MAPK7,PIK3CD,PRKDC,SYK,TEK,ZAP70 14
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Onychomycosis 120.99 31.67 48 3525 37328 90587546
Onychomadesis 117.98 31.67 50 3523 45948 90578926
Injection site reaction 98.49 31.67 55 3518 92025 90532849
C-reactive protein abnormal 65.62 31.67 48 3525 127381 90497493
Ill-defined disorder 63.76 31.67 55 3518 184836 90440038
Rheumatic fever 62.02 31.67 50 3523 153071 90471803
C-reactive protein increased 60.61 31.67 53 3520 181336 90443538
Type 2 diabetes mellitus 59.27 31.67 55 3518 203189 90421685
Therapeutic product effect incomplete 57.56 31.67 53 3520 193843 90431031
Underdose 56.97 31.67 32 3541 53985 90570889
Sleep disorder 49.05 31.67 49 3524 197981 90426893
Therapeutic product effect decreased 45.02 31.67 55 3518 277516 90347358
Psoriatic arthropathy 41.56 31.67 48 3525 228287 90396587
Pericarditis 39.76 31.67 51 3522 270100 90354774
Wound 39.66 31.67 54 3519 302926 90321948
Treatment failure 38.02 31.67 53 3520 303875 90320999
Systemic lupus erythematosus 36.47 31.67 57 3516 361839 90263035
Synovitis 34.71 31.67 53 3520 329699 90295175
Product use in unapproved indication 33.93 31.67 53 3520 336183 90288691
Confusional state 32.39 31.67 56 3517 386149 90238725

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Onychomycosis 126.29 39.13 51 4647 38480 110546121
Onychomadesis 121.22 39.13 52 4646 45611 110538990
Injection site reaction 98.97 39.13 56 4642 89014 110495587
Capillaritis 85.40 39.13 20 4678 2419 110582182
Therapeutic product effect incomplete 81.67 39.13 71 4627 223734 110360867
Sleep disorder 76.48 39.13 65 4633 198579 110386022
Ill-defined disorder 74.45 39.13 58 4640 156795 110427806
Rheumatic fever 73.10 39.13 52 4646 122527 110462074
Type 2 diabetes mellitus 70.28 39.13 59 4639 177173 110407428
C-reactive protein abnormal 68.22 39.13 51 4647 129644 110454957
Antineutrophil cytoplasmic antibody positive 66.35 39.13 19 4679 5057 110579544
Conjunctivitis allergic 64.70 39.13 20 4678 6911 110577690
Mite allergy 59.51 39.13 18 4680 5785 110578816
Mycotic allergy 59.06 39.13 18 4680 5936 110578665
Dust allergy 58.92 39.13 18 4680 5983 110578618
Spirometry abnormal 56.15 39.13 17 4681 5480 110579121
C-reactive protein increased 56.11 39.13 57 4641 217862 110366739
Neuritis 55.21 39.13 18 4680 7381 110577220
Total lung capacity abnormal 54.76 39.13 16 4682 4567 110580034
Pulmonary vasculitis 53.19 39.13 17 4681 6543 110578058
Underdose 52.41 39.13 33 4665 63521 110521080
Systemic lupus erythematosus 52.21 39.13 59 4639 254279 110330322
Wound 49.16 39.13 55 4643 234382 110350219
Eosinophilic granulomatosis with polyangiitis 48.73 39.13 18 4680 10668 110573933
Pericarditis 48.70 39.13 53 4645 219061 110365540
Psoriatic arthropathy 47.98 39.13 50 4648 196711 110387890
Pemphigus 47.86 39.13 52 4646 214518 110370083
Therapeutic product effect decreased 47.31 39.13 55 4643 244261 110340340
Normochromic normocytic anaemia 45.22 39.13 18 4680 13039 110571562
Forced expiratory volume decreased 45.06 39.13 18 4680 13158 110571443
Synovitis 43.81 39.13 56 4642 274036 110310565
Neurological symptom 42.12 39.13 18 4680 15590 110569011
Product use issue 41.13 39.13 58 4640 311637 110272964
Pulmonary alveolar haemorrhage 40.79 39.13 19 4679 20131 110564470
Treatment failure 40.20 39.13 54 4644 277180 110307421
Respiratory symptom 39.55 39.13 17 4681 14928 110569673

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC A11DA03 ALIMENTARY TRACT AND METABOLISM
VITAMINS
VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Vitamin B1, plain
CHEBI has role CHEBI:22586 antioxidant
CHEBI has role CHEBI:50267 protective agent
CHEBI has role CHEBI:50733 nutraceutical
CHEBI has role CHEBI:50847 immunological adjuvant
CHEBI has role CHEBI:72470 provitamin B<small><sub>1</sub></small>

Related Drugs by ATC class:

A11DA Vitamin B1, plain 2 drugs
sulbutiaminethiamine

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

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 2.16 acidic
pKa2 6.98 acidic
pKa3 7.59 Basic
pKa4 0.96 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
4028227 VUID
N0000177939 NUI
D01255 KEGG_DRUG
18891 RXNORM
C0053116 UMLSCUI
CHEBI:41039 CHEBI
BFT PDB_CHEM_ID
CHEMBL4303665 ChEMBL_ID
DB11748 DRUGBANK_ID
1300 INN_ID
Y92OUS2H9B UNII
3032771 PUBCHEM_CID
23417 MMSL
366760 MMSL
d08940 MMSL
4028227 VANDF
005583 NDDF
703399007 SNOMEDCT_US
704989003 SNOMEDCT_US

Pharmaceutical products:

None