General Information of the Compound
Compound ID
CP0767289
Compound Name
Sergliflozin
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Synonyms
2-(4-Methoxybenzyl)phenyl 6-O-(ethoxycarbonyl)-beta-D-glucopyranoside
2-(4-methoxybenzyl)phenyl 6-O-ethoxycarbonyl-beta-D-glucopyranoside
2-[(4-Methoxyphenyl)methyl]phenyl-beta-D-glucopyranoside-6-(ethyl carbonate)
408504-26-7
4HY3523466
504M267
AN-28459
CHEMBL450044
D06641
GTPL4587
GW869682X
QLXKHBNJTPICNF-QMCAAQAGSA-N
SCHEMBL621807
Sergliflozin
Sergliflozin etabonate
Sergliflozin etabonate (USAN)
Sergliflozin etabonate [USAN:INN]
UNII-4HY3523466
ZINC3974200
beta-D-Glucopyranoside, 2-((4-methoxy
gsk-869682
sergliflozin
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Structure
Formula
C23H28O9
Molecular Weight
448.468
Canonical SMILES
CCOC(=O)OC[C@H]1O[C@@H](Oc2ccccc2Cc2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O
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InChI
InChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3/t18-,19-,20+,21-,22-/m1/s1
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InChIKey
QLXKHBNJTPICNF-QMCAAQAGSA-N
CAS
408504-26-7
Physicochemical Property
logP
1.6455
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
123.91
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Complexity
32

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9824918
SID: 15103357
ChEMBL ID
CHEMBL450044
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06111, Probable glucose sensor protein SLC5A4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 260 nM
   TI
   LI
   LO
   TS
Protein ID: PT03804, Sodium/glucose cotransporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 22000 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 22000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02415, Sodium/glucose cotransporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 260 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( sergliflozin )
Drug Name sergliflozin
Target(s)
Sodium/glucose cotransporter 2 (SGLT2)
Inhibitor
Sodium/glucose cotransporter 1 (SGLT1)
Inhibitor