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]
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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
CAS Number: 360775-96-8
TTD ID: D03AJS
VARIDT ID: DR00945

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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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.