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Details

Stereochemistry ACHIRAL
Molecular Formula C17H10F3N5O3S
Molecular Weight 421.353
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAFICRESTAT

SMILES

OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C4=C1N=CC=N4

InChI

InChIKey=YRGPAXAVTDMKDK-UHFFFAOYSA-N
InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)

HIDE SMILES / InChI

Description

Aldose reductase-IN-1 is an inhibitor of aldose reductase

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 28.9 pM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
CJ-023,423, a novel, potent and selective prostaglandin EP4 receptor antagonist with antihyperalgesic properties.
2007-08
Patents

Patents

07960407
3
JP2006249089A
3
US20130225592
2
WO2014113380 A1
2

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Name Type Language
AT-001
Preferred Name English
CAFICRESTAT
USAN   INN  
Official Name English
caficrestat [INN]
Common Name English
AT 001 [WHO-DD]
Common Name English
7,8-DIHYDRO-8-OXO-7-((5-(TRIFLUOROMETHYL)-2-BENZOTHIAZOLYL)METHYL)PYRAZINO(2,3-D)PYRIDAZINE-5-ACETIC ACID
Systematic Name English
AT001
Code English
(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid
Systematic Name English
ALDOSE REDUCTASE-IN-1
Common Name English
Pyrazino[2,3-d]pyridazine-5-acetic acid, 7,8-dihydro-8-oxo-7-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]-
Systematic Name English
2-(8-OXO-7-((5-(TRIFLUOROMETHYL)BENZO(D)THIAZOL-2-YL)METHYL)-7,8-DIHYDROPYRAZINO(2,3-D)PYRIDAZIN-5-YL) ACETIC ACID
Systematic Name English
CAFICRESTAT [USAN]
Common Name English
Code System Code Type Description
CAS
1355612-71-3
Created by admin on Wed Apr 02 00:22:39 GMT 2025 , Edited by admin on Wed Apr 02 00:22:39 GMT 2025
PRIMARY
SMS_ID
300000003501
Created by admin on Wed Apr 02 00:22:39 GMT 2025 , Edited by admin on Wed Apr 02 00:22:39 GMT 2025
PRIMARY
PUBCHEM
56639723
Created by admin on Wed Apr 02 00:22:39 GMT 2025 , Edited by admin on Wed Apr 02 00:22:39 GMT 2025
PRIMARY
INN
11609
Created by admin on Wed Apr 02 00:22:39 GMT 2025 , Edited by admin on Wed Apr 02 00:22:39 GMT 2025
PRIMARY
DRUG BANK
DB15121
Created by admin on Wed Apr 02 00:22:39 GMT 2025 , Edited by admin on Wed Apr 02 00:22:39 GMT 2025
PRIMARY
FDA UNII
E8I3O45DDU
Created by admin on Wed Apr 02 00:22:39 GMT 2025 , Edited by admin on Wed Apr 02 00:22:39 GMT 2025
PRIMARY
NCI_THESAURUS
C179076
Created by admin on Wed Apr 02 00:22:39 GMT 2025 , Edited by admin on Wed Apr 02 00:22:39 GMT 2025
PRIMARY
USAN
KL-75
Created by admin on Wed Apr 02 00:22:39 GMT 2025 , Edited by admin on Wed Apr 02 00:22:39 GMT 2025
PRIMARY
ACTIVE MOIETY
Structure of CAFICRESTAT
NIH
NCATS
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