Details of the Drug

General Information of Drug (ID: DM6FVCE)

Drug Name
SERGLIFLOZIN A
Synonyms
SERGLIFLOZIN A; UNII-AR34521QFL; CHEMBL270766; AR34521QFL; O-glucoside, 4a; SCHEMBL2574820; BDBM20878; beta-D-Glucopyranoside, 2-((4-methoxyphenyl)methyl)phenyl; HFLCZNNDZKKXCS-OUUBHVDSSA-N; J3.551.075C; 2-(4-methoxybenzyl)phenyl betaD-glucopyranoside; 2-(4-methoxybenzyl)phenyl beta-D-glucopyranoside; 2-(4-methoxybenzyl)-phenyl beta-D-glucopyranoside; 2-(4-methoxy-benzyl)phenyl beta-D-glucopyranoside; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methoxyphenyl)methyl]phenoxy}oxane-3,4,5-triol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 376.4
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H24O7
IUPAC Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol
Canonical SMILES
COC1=CC=C(C=C1)CC2=CC=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C20H24O7/c1-25-14-8-6-12(7-9-14)10-13-4-2-3-5-15(13)26-20-19(24)18(23)17(22)16(11-21)27-20/h2-9,16-24H,10-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
InChIKey
HFLCZNNDZKKXCS-OUUBHVDSSA-N
Cross-matching ID
PubChem CID
10177526
ChEBI ID
CHEMBL270766
CAS Number
360775-96-8
TTD ID
D03AJS
VARIDT ID
DR00945
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
SLC5A2 messenger RNA (SLC5A2 mRNA) TTF8JAT SC5A2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
SLC5A2 messenger RNA (SLC5A2 mRNA) DTT SLC5A2 3.26E-01 -0.09 -0.37
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents: 1,3,4-Thiadiazolylmethylphenyl glucoside congeners. Bioorg Med Chem. 2010 Mar 15;18(6):2178-2194.