KEGG   DRUG: ErtugliflozinHelp
Entry
D10313                      Drug                                   

Name
Ertugliflozin (USAN/INN)
Formula
C22H25ClO7
Exact mass
436.1289
Mol weight
436.8827
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antidiabetic agent
 DG01794  SGLT2 inhibitor
 DG02044  Hypoglycemics
  DG01794  SGLT2 inhibitor
Metabolizing enzyme substrate
 DG02924  UGT substrate
Remark
ATC code: A10BK04
Chemical structure group: DG02836
Product (DG02836): D11043<US>
Product (mixture): D11066<US> D11067<US>
Efficacy
Antidiabetic, SGLT-2 inhibitor
Comment
Phlorizin derivative
Treatment of type 2 diabetes
Target
SLC5A2 (SGLT2) [HSA:6524] [KO:K14382]
Metabolism
Enzyme: UGT1A9 [HSA:54600], UGT2B7 [HSA:7364]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A10 DRUGS USED IN DIABETES
   A10B BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
    A10BK Sodium-glucose co-transporter 2 (SGLT2) inhibitors
     A10BK04 Ertugliflozin
      D10313  Ertugliflozin (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC5
    SLC5A2 (SGLT2)
     D10313  Ertugliflozin (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10313
BRITE hierarchy
Other DBs
CAS: 1210344-57-2
PubChem: 163312343
ChEMBL: CHEMBL1770248
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    17.9900  -18.1300
            2   C8x C    17.9900  -19.5300
            3   C8x C    19.1800  -20.2300
            4   C8y C    20.4400  -19.5300
            5   C8y C    20.4400  -18.1300
            6   C8x C    19.1800  -17.4300
            7   C1b C    21.6300  -17.4300
            8   C8y C    22.8900  -18.1300
            9   C8x C    22.8900  -19.5300
            10  C8x C    24.0800  -20.2300
            11  C8y C    25.2700  -19.5300
            12  C8x C    25.2700  -18.1300
            13  C8x C    24.0800  -17.4300
            14  X   Cl   21.6300  -20.2300
            15  O2a O    26.4600  -20.2300
            16  C1b C    27.6500  -19.5300
            17  C1a C    28.8400  -20.2300
            18  C1z C    16.8000  -17.4300
            19  O2x O    16.8000  -16.0300
            20  C1z C    15.5400  -15.3300
            21  C1y C    14.3500  -16.0300
            22  C1y C    14.3500  -17.4300
            23  C1y C    15.5400  -18.1300
            24  O1a O    15.5400  -19.5300
            25  O1a O    13.1600  -15.3300
            26  O1a O    13.1600  -18.1300
            27  C1b C    15.5400  -13.9300
            28  O1a O    16.8000  -13.2300
            29  C1x C    17.0324  -14.4200
            30  O2x O    18.5024  -16.3800
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    4  14 1
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   18   1 1 #Up
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26   23  24 1 #Down
            27   21  25 1 #Down
            28   22  26 1 #Up
            29   20  27 1 #Up
            30   27  28 1
            31   20  29 1 #Down
            32   18  30 1 #Down
            33   29  30 1

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