epalrestat ๐Ÿถ Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
aldose reductase inhibitors 1021 82159-09-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ONO-2235
  • epalrestat
  • eabeth
  • sorbistat
  • kinedak
  • Molecular weight: 319.39
  • Formula: C15H13NO3S2
  • CLOGP: 2.43
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 1
  • TPSA: 57.61
  • ALOGS: -4.70
  • ROTB: 4

Drug dosage:

None

ADMET properties:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 6.71 ยตM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1992 YEAR INTRODUCED

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:

SourceCodeDescription
MeSH PA D004791 Enzyme Inhibitors
CHEBI has role CHEBI:48550 aldose reductase inhibitors

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

DiseaseRelationSNOMED_IDDOID
Diabetic neuropathy indication 230572002 DOID:9743




๐Ÿถ Veterinary Drug Use

None

๐Ÿถ Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.02 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 7.68 WOMBAT-PK SCIENTIFIC LITERATURE
Alcohol dehydrogenase [NADP(+)] Enzyme IC50 5.59 CHEMBL
Aldo-keto reductase family 1 member B10 Enzyme IC50 6.48 CHEMBL
Sorbitol dehydrogenase Enzyme IC50 4.17 CHEMBL
Cytochrome P450 4A11 Enzyme INHIBITOR IC50 5.74 IUPHAR
Alcohol dehydrogenase [NADP(+)] Enzyme IC50 5.82 CHEMBL
Aldose reductase Enzyme IC50 8 CHEMBL
Aldose reductase Enzyme IC50 6.77 CHEMBL
Alcohol dehydrogenase [NADP(+)] Enzyme IC50 5.82 CHEMBL

External reference:

IDSource
D01688 KEGG_DRUG
C0095278 UMLSCUI
CHEBI:31539 CHEBI
EPR PDB_CHEM_ID
CHEMBL56337 ChEMBL_ID
DB15293 DRUGBANK_ID
C038131 MESH_SUPPLEMENTAL_RECORD_UI
1549120 PUBCHEM_CID
11371 IUPHAR_LIGAND_ID
5896 INN_ID
424DV0807X UNII

Pharmaceutical products:

None