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

Stem definitionDrug idCAS RN
1979 137-86-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • octotiamine
  • neuvitan
  • Molecular weight: 544.74
  • Formula: C23H36N4O5S3
  • CLOGP: 1.51
  • LIPINSKI: 1
  • HAC: 9
  • HDO: 2
  • TPSA: 135.71
  • ALOGS: -4.55
  • ROTB: 18

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PIM2,PRKDC,STK33,SYK,TEK,TTK 32
kinase-selectivity-class GRK2 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

None

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 7.36 Basic
pKa2 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
D01184 KEGG_DRUG
C0752364 UMLSCUI
CHEBI:31930 CHEBI
CHEMBL2105140 ChEMBL_ID
C002051 MESH_SUPPLEMENTAL_RECORD_UI
1470 INN_ID
UN1Q7096GA UNII
5353843 PUBCHEM_CID
014162 NDDF

Pharmaceutical products:

None