Details of the Drug

General Information of Drug (ID: DMTGIUV)

Drug Name
SPR-210
Synonyms
Spr 210; Spr-210; SCHEMBL1650593; AC1L3164; 2H-1,4-Benzothiazine-2-acetic acid, 3,4-dihydro-3-oxo-4-((4,5,7-trifuruoro-2-benzothiazolyl)methyl)-; 3,4-Dihydro-3-oxo-4-((4,5,7-trifuruoro-2-benzothiazolyl)methyl)-2H-1,4-benzothiazine-2-acetic acid; 3,4-Dihydro-3-oxo-4-((4,5,7-trifluoro-2-benzothiazolyl)methyl)-2H-1,4-benzothiazine-2-acetic acid; 2-[5-methyl-3-oxo-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 424.4
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C18H11F3N2O3S2
IUPAC Name
2-[5-methyl-3-oxo-4-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)-1,4-benzothiazin-2-yl]acetic acid
Canonical SMILES
CC1=C2C(=CC=C1)SC(C(=O)N2C3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O
InChI
InChI=1S/C18H11F3N2O3S2/c1-7-3-2-4-10-15(7)23(17(26)11(27-10)6-12(24)25)18-22-14-13(21)8(19)5-9(20)16(14)28-18/h2-5,11H,6H2,1H3,(H,24,25)
InChIKey
ZVSDXQXCVBUOHA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132542
TTD ID
D0E6LC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aldose reductase (AKR1B1) TTFBNVI ALDR_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Diabetic complication
ICD Disease Classification 5A2Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Aldose reductase (AKR1B1) DTT AKR1B1 1.08E-20 0.94 1.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002923)
2 Pharmacological profiles of a novel aldose reductase inhibitor, SPR-210, and its effects on streptozotocin-induced diabetic rats. Jpn J Pharmacol. 1994 Feb;64(2):115-24.