KEGG   COMPOUND: C22193
Entry
C22193                      Compound                               
Name
Dapagliflozin
Formula
C21H25ClO6
Exact mass
408.1340
Mol weight
408.87
Structure
Remark
Same as: D08897
Brite
Glycosides [BR:br08021]
 C-glycosides
  C22193  Dapagliflozin
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
     A10BK01 Dapagliflozin
      D08897  Dapagliflozin (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antidiabetic agent
  DG02044  Hypoglycemic agent
   DG01794  SGLT2 inhibitor
    DG00122  Dapagliflozin
     D08897  Dapagliflozin
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG03188  UGT1A9 substrate
    DG00122  Dapagliflozin
     D08897  Dapagliflozin
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC5
    SLC5A2 (SGLT2)
     D08897  Dapagliflozin (JAN/USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08897
Other DBs
PubChem: 405226384
PDB-CCD: LE6[PDBj]
LinkDB
KCF data

ATOM        28
            1   C8y C    15.6330  -17.5959
            2   C8x C    15.6330  -18.9980
            3   C8x C    16.8248  -19.6990
            4   C8y C    18.0866  -18.9980
            5   C8y C    18.0866  -17.5959
            6   C8x C    16.8248  -16.8949
            7   C1b C    19.2784  -16.8949
            8   C8y C    20.5402  -17.5959
            9   C8x C    20.5402  -18.9980
            10  C8x C    21.7320  -19.6990
            11  C8y C    22.9237  -18.9980
            12  C8x C    22.9237  -17.5959
            13  C8x C    21.7320  -16.8949
            14  X   Cl   19.2784  -19.6990
            15  O2a O    24.1155  -19.6990
            16  C1b C    25.3072  -18.9980
            17  C1a C    26.4990  -19.6990
            18  C1y C    14.4413  -16.8949
            19  O2x O    14.4413  -15.4928
            20  C1y C    13.1794  -14.7918
            21  C1y C    11.9876  -15.4928
            22  C1y C    11.9876  -16.8949
            23  C1y C    13.1794  -17.5959
            24  O1a O    13.1794  -18.9980
            25  O1a O    10.7959  -14.7918
            26  O1a O    10.7959  -17.5959
            27  C1b C    13.1794  -13.3897
            28  O1a O    14.4413  -12.6887
BOND        30
            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

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