tolrestat Indications/Contra | FAERs | Orange Book | BioActivity |

Stem definitionDrug idCAS RN
aldose reductase inhibitors 2704 82964-04-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • tolrestat
  • tolrestatin
  • lorestat
  • alredase
  • AY-27773
  • Molecular weight: 357.35
  • Formula: C16H14F3NO3S
  • CLOGP: 3.43
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 1
  • TPSA: 49.77
  • ALOGS: -4.67
  • ROTB: 5

Drug dosage:

None

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1989 YEAR INTRODUCED

FDA Adverse Event Reporting System

None

Pharmacologic Action:

SourceCodeDescription
ATC A10XA01 ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
OTHER DRUGS USED IN DIABETES
Aldose reductase inhibitors
MeSH PA D004791 Enzyme Inhibitors

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Diabetic complication indication 74627003

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.18 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Aldose reductase Enzyme INHIBITOR IC50 8.51 WOMBAT-PK SCIENTIFIC LITERATURE
Alcohol dehydrogenase [NADP(+)] Enzyme IC50 6.14 CHEMBL
Aldo-keto reductase family 1 member B10 Enzyme Ki 7.30 CHEMBL
Aldose reductase Enzyme IC50 7.48 CHEMBL
Aldose reductase Enzyme IC50 7.82 CHEMBL
Aldo-keto reductase family 1 member C21 Enzyme Ki 4.66 CHEMBL
Aldose reductase Enzyme IC50 8.70 CHEMBL
Alcohol dehydrogenase [NADP(+)] Enzyme IC50 5.92 CHEMBL
Alcohol dehydrogenase [NADP(+)] Enzyme IC50 6.27 CHEMBL

External reference:

IDSource
C0076808 UMLSCUI
7404 IUPHAR_LIGAND_ID
D02323 KEGG_DRUG
CHEMBL436 ChEMBL_ID
0T93LG5NMK UNII
5529 INN_ID
38386 RXNORM
003770 NDDF
53359 PUBCHEM_CID
C040550 MESH_SUPPLEMENTAL_RECORD_UI
DB02383 DRUGBANK_ID
CHEBI:48549 CHEBI
TOL PDB_CHEM_ID

Pharmaceutical products:

None