KEGG   DRUG: D06553Help
Entry
D06553                      Drug                                   

Name
Alogliptin benzoate (JAN/USAN);
Vipidia (TN)
Product
Formula
C18H21N5O2. C7H6O2
Exact mass
461.2063
Mol weight
461.513
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of type 2 diabetes [DS:H00409]
Remark
Therapeutic category: 
ATC code: 
Target
dipeptidyl-peptidase 4 (DPP4) inhibitor [HSA:1803] [KO:K01278]
  Pathway
hsa04974  Protein digestion and absorption  
 
Interaction
Drug interaction
Structure map
Antidiabetics
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   396  Antidiabetic agents
    3969  Others
     D06553  Alogliptin benzoate (JAN/USAN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A10 DRUGS USED IN DIABETES
   A10B BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
    A10BH Dipeptidyl peptidase 4 (DPP-4) inhibitors
     A10BH04 Alogliptin
      D06553  Alogliptin benzoate (JAN/USAN)
USP drug classification [BR:br08302]
 Blood Glucose Regulators
  Antidiabetic Agents
   Alogliptin
    D06553  Alogliptin benzoate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   dipeptidyl-peptidase 4 (DPP4) [HSA:1803] [KO:K01278]
    Alogliptin [ATC:A10BH04]
     D06553  Alogliptin benzoate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
850649-62-6
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8x C    11.4100  -16.3100
            2   C8x C    11.4100  -17.7100
            3   C8x C    12.6224  -18.4100
            4   C8x C    13.8349  -17.7100
            5   C8y C    13.8349  -16.3100
            6   C8y C    12.6224  -15.6100
            7   C8y C    16.2597  -17.7100
            8   N4y N    16.2597  -16.3100
            9   C1b C    15.0473  -15.6100
            10  N4y N    17.4722  -18.4100
            11  C8y C    18.6846  -17.7100
            12  C8x C    18.6846  -16.3100
            13  C8y C    17.4722  -15.6100
            14  C3b C    12.6224  -14.2102
            15  N3a N    12.6224  -12.8102
            16  O5x O    15.0326  -18.4186
            17  C1a C    17.4722  -19.8097
            18  O5x O    19.9011  -18.4123
            19  N1y N    17.4722  -14.2103
            20  C1x C    18.7054  -13.4980
            21  C1x C    18.7052  -12.0980
            22  C1x C    17.4926  -11.3982
            23  C1y C    16.2594  -12.1105
            24  C1x C    16.2596  -13.5105
            25  N1a N    15.0322  -11.4021
            26  C8y C    23.9402  -15.6465
            27  C8x C    22.7305  -16.3378
            28  C8x C    25.1564  -16.3378
            29  C6a C    23.9339  -14.2511
            30  C8x C    22.7305  -17.7461
            31  C8x C    25.1564  -17.7461
            32  O6a O    25.1371  -13.5534
            33  O6a O    22.7240  -13.5599
            34  C8x C    23.9402  -18.4565
BOND        36
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    6  14 1
            16   14  15 3
            17    7  16 2
            18   10  17 1
            19   11  18 2
            20   13  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   19  24 1
            27   23  25 1 #Down
            28   26  27 2
            29   26  28 1
            30   26  29 1
            31   27  30 1
            32   28  31 2
            33   29  32 1
            34   29  33 2
            35   30  34 2
            36   31  34 1

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