KEGG   COMPOUND: C22194
Entry
C22194                      Compound                               

Name
Empagliflozin
Formula
C23H27ClO7
Exact mass
450.1445
Mol weight
450.9093
Structure
Remark
Same as: D10459
Brite
Glycosides [BR:br08021]
 C-glycosides
  C22194  Empagliflozin
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
     A10BK03 Empagliflozin
      D10459  Empagliflozin (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Blood Glucose Regulators
  Antidiabetic Agents
   Sodium-Glucose Co-Transporter 2 Inhbitor
    Empagliflozin
     D10459  Empagliflozin (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   396  Antidiabetic agents
    3969  Others
     D10459  Empagliflozin (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC5
    SLC5A2 (SGLT2)
     D10459  Empagliflozin (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10459
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10459
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10459
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10459
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10459
 Drug transporters
  D10459
Other DBs
PubChem: 405226385
ChEMBL: CHEMBL2107830
LinkDB
KCF data

ATOM        31
            1   C8y C    15.1183  -17.5680
            2   C8x C    15.1183  -18.9678
            3   C8x C    16.3081  -19.6678
            4   C8y C    17.5680  -18.9678
            5   C8y C    17.5680  -17.5680
            6   C8x C    16.3081  -16.8681
            7   C1b C    18.7579  -16.8681
            8   C8y C    20.0177  -17.5680
            9   C8x C    20.0177  -18.9678
            10  C8x C    21.2076  -19.6678
            11  C8y C    22.3974  -18.9678
            12  C8x C    22.3974  -17.5680
            13  C8x C    21.2076  -16.8681
            14  X   Cl   18.7579  -19.6678
            15  O2a O    23.5873  -19.6678
            16  C1y C    24.7772  -18.9678
            17  C1y C    13.9284  -16.8681
            18  O2x O    13.9284  -15.4682
            19  C1y C    12.6686  -14.7683
            20  C1y C    11.4787  -15.4682
            21  C1y C    11.4787  -16.8681
            22  C1y C    12.6686  -17.5680
            23  O1a O    12.6686  -18.9678
            24  O1a O    10.2888  -14.7683
            25  O1a O    10.2888  -17.5680
            26  C1b C    12.6686  -13.3685
            27  O1a O    13.9284  -12.6686
            28  C1x C    26.1070  -19.5278
            29  O2x O    27.0169  -18.4779
            30  C1x C    26.3170  -17.2880
            31  C1x C    24.9172  -17.5680
BOND        34
            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   16  15 1 #Up
            18   17   1 1 #Up
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   21  20 1
            23   21  22 1
            24   22  17 1
            25   22  23 1 #Down
            26   20  24 1 #Down
            27   21  25 1 #Up
            28   19  26 1 #Up
            29   26  27 1
            30   16  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   16  31 1

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