DrugCentral 2023 ๐
2022 Update-Veterinary Drugs & Uses
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Structure ๐
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L1000
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DrugCentral 2023 ๐
2022 Update-Veterinary Drugs & Uses
Search
Structure ๐
Similarity ๐
Smart API
Redial
About
Download
L1000
FAQ
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FDA-approved
EMA-approved
PMDA-approved
Target Card Uniprot Example:
P23975
tolrestat ๐ถ
Veterinary Use |
Indications/Contra
| FAERs-F
| FAERs-M
| Orange Bk
| BioActivity |
Stem definition
Drug id
CAS RN
aldose reductase inhibitors
2704
82964-04-3
Description:
Molecule
Description
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
ADMET properties:
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Property
Value
Reference
MRTD (Maximum Recommended Therapeutic Daily Dose)
8 ยตM/kg/day
Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BDDCS (Biopharmaceutical Drug Disposition Classification System)
3
Hosey CM, Chan R, Benet LZ
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Approvals:
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Date
Agency
Company
Orphan
Jan. 1, 1989
YEAR INTRODUCED
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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:
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Source
Code
Description
ATC
A10XA01
ALIMENTARY TRACT AND METABOLISM
DRUGS USED IN DIABETES
OTHER DRUGS USED IN DIABETES
Aldose reductase inhibitors
CHEBI has role
CHEBI:48550
aldose reductase inhibitors
MeSH PA
D004791
Enzyme Inhibitors
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Drug Use
| Suggest Off label Use Form|
|View source of the data|
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Disease
Relation
SNOMED_ID
DOID
Diabetic complication
indication
74627003
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๐ถ Veterinary Drug Use
None
๐ถ Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
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Dissociation level
Dissociation constant
Type (acidic/basic)
pKa1
4.18
acidic
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Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
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Target
Class
Pharos
UniProt
Action
Type
Activity value
(-log[M])
Mechanism
action
Bioact source
MoA source
Aldose reductase
Enzyme
P15121
ALDR_HUMAN
INHIBITOR
IC50
8.51
WOMBAT-PK
SCIENTIFIC LITERATURE
Alcohol dehydrogenase [NADP(+)]
Enzyme
P14550
AK1A1_HUMAN
IC50
6.14
CHEMBL
Aldo-keto reductase family 1 member B10
Enzyme
O60218
AK1BA_HUMAN
Ki
7.30
CHEMBL
Alcohol dehydrogenase [NADP(+)]
Enzyme
AK1A1_PIG
IC50
6.27
CHEMBL
Aldose reductase
Enzyme
ALDR_PIG
IC50
7.82
CHEMBL
Aldose reductase
Enzyme
ALDR_RAT
IC50
8.70
CHEMBL
Alcohol dehydrogenase [NADP(+)]
Enzyme
AK1A1_RAT
IC50
5.92
CHEMBL
Aldo-keto reductase family 1 member C21
Enzyme
AK1CL_MOUSE
Ki
4.66
CHEMBL
Aldose reductase
Enzyme
ALDR_BOVIN
IC50
7.48
CHEMBL
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External reference:
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ID
Source
TOL
PDB_CHEM_ID
003770
NDDF
0T93LG5NMK
UNII
38386
RXNORM
53359
PUBCHEM_CID
5529
INN_ID
7404
IUPHAR_LIGAND_ID
C0076808
UMLSCUI
C040550
MESH_SUPPLEMENTAL_RECORD_UI
CHEBI:48549
CHEBI
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Pharmaceutical products:
None
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Structure ๐
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tolrestat