Details of the Drug

General Information of Drug (ID: DM2PVMZ)

Drug Name
E-0722
Synonyms Methosorbinil; E-79175; M-79175
Indication
Disease Entry ICD 11 Status REF
Diabetic cataract 9B10.21 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 250.23
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H11FN2O3
IUPAC Name
(2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
Canonical SMILES
C[C@@H]1C[C@]2(C3=C(O1)C=CC(=C3)F)C(=O)NC(=O)N2
InChI
InChI=1S/C12H11FN2O3/c1-6-5-12(10(16)14-11(17)15-12)8-4-7(13)2-3-9(8)18-6/h2-4,6H,5H2,1H3,(H2,14,15,16,17)/t6-,12+/m1/s1
InChIKey
SEAQTHCVAGBRFY-INWYIAFRSA-N
Cross-matching ID
PubChem CID
175915
CAS Number
102916-95-0
TTD ID
D0B0GC

Molecular Interaction Atlas of This Drug


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

Molecular Expression Atlas of This Drug

The Studied Disease Diabetic cataract
ICD Disease Classification 9B10.21
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 800004685)
2 Aldose reductase inhibitors and prevention of galactose cataracts in rats. Invest Ophthalmol Vis Sci. 1989 Jul;30(7):1623-32.