All FDA-approved EMA-approved PMDA-approved
Target Card Uniprot Example: P23975

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

Stem definition	Drug id	CAS RN
aldose reductase inhibitors	1021	82159-09-9

Description:

Molecule	Description
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:

Property	Value	Reference
MRTD (Maximum Recommended Therapeutic Daily Dose)	6.71 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
kinase-safety-class	ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70	71
kinase-selectivity-class	ACVR2A,AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,MAP2K6,MAPK7,PRKDC,STK33,TEK,TGFBR1,TTK	18
pfas-class	PFAS structural alert (1 = True, 0 = False)	0

Approvals:

Date	Agency	Company	Orphan
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)

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
Cerebral infarction	52.53	51.60	14	253	51824	110537208

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
MeSH PA	D004791	Enzyme Inhibitors
CHEBI has role	CHEBI:35610	antineoplastic agent
CHEBI has role	CHEBI:48550	EC 1.1.1.21 (aldehyde reductase) inhibitor

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

Disease	Relation	SNOMED_ID	DOID
Diabetic neuropathy	indication	230572002	DOID:9743

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	3.02	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Aldose reductase	Enzyme	P15121	ALDR_HUMAN	INHIBITOR	IC50	7.68		WOMBAT-PK	SCIENTIFIC LITERATURE
Cytochrome P450 4A11	Enzyme	Q02928	CP4AB_HUMAN	INHIBITOR	IC50	5.74		IUPHAR
Alcohol dehydrogenase [NADP(+)]	Enzyme	P14550	AK1A1_HUMAN		IC50	5.59		CHEMBL
Glycogen synthase kinase-3 beta	Kinase	P49841	GSK3B_HUMAN		IC50	7.68		CHEMBL
Sorbitol dehydrogenase	Enzyme	Q00796	DHSO_HUMAN		IC50	4.17		CHEMBL
Aldo-keto reductase family 1 member B10	Enzyme	O60218	AK1BA_HUMAN		IC50	6.48		CHEMBL
Alcohol dehydrogenase [NADP(+)]	Enzyme		AK1A1_PIG		IC50	5.82		CHEMBL
Aldose reductase	Enzyme		ALDR_RAT		IC50	8		CHEMBL
Aldose reductase	Enzyme		ALDR_BOVIN		IC50	6.77		CHEMBL
Alcohol dehydrogenase [NADP(+)]	Enzyme		AK1A1_RAT		IC50	5.82		CHEMBL

External reference:

ID	Source
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
020125	NDDF
424DV0807X	INXIGHT DRUGS

Pharmaceutical products:

None