KEGG   DRUG: Linagliptin
Entry
D09566                      Drug                                   
Name
Linagliptin (JAN/USAN/INN);
Tradjenta (TN)
Product
TRADJENTA (Boehringer Ingelheim Pharmaceuticals), TRADJENTA (Cardinal Health 107)
Formula
C25H28N8O2
Exact mass
472.2335
Mol weight
472.5422
Structure
Class
Antidiabetic agent
 DG02044  Hypoglycemic agent
  DG01601  DPP-4 inhibitor
Remark
Therapeutic category: 3969
ATC code: A10BH05
Product: D09566<JP/US>
Product (mixture): D10264<US> D10588<JP/US> D11856<US>
Efficacy
Antidiabetic, Dipeptidyl peptidase-4 (DPP-4) inhibitor
  Disease
Type 2 diabetes mellitus [DS:H00409]
Comment
Treatment of type 2 diabetes
Target
DPP4 (CD26) [HSA:1803] [KO:K01278]
  Pathway
hsa04974  Protein digestion and absorption
Interaction
Structure map
map07051  Antidiabetics
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
    A10BH Dipeptidyl peptidase 4 (DPP-4) inhibitors
     A10BH05 Linagliptin
      D09566  Linagliptin (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Blood Glucose Regulators
  Antidiabetic Agents
   Dipeptidyl Peptidase-4 (DPP-4) Inhibitor
    Linagliptin
     D09566  Linagliptin (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
     D09566  Linagliptin (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antidiabetic agent
  DG02044  Hypoglycemic agent
   DG01601  DPP-4 inhibitor
    D09566  Linagliptin
Drug classes [BR:br08332]
 Antidiabetic agent
  DG01601  DPP-4 inhibitor
   D09566  Linagliptin
  DG02044  Hypoglycemic agent
   D09566  Linagliptin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-peptidases
    DPP4 (CD26)
     D09566  Linagliptin (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09566
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09566
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09566
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09566
Other DBs
CAS: 668270-12-0
PubChem: 124490306
ChEBI: 68610
PDB-CCD: 356[PDBj]
LigandBox: D09566
LinkDB
KCF data

ATOM        35
            1   C8x C    15.6073  -25.1957
            2   C8x C    15.6073  -26.5954
            3   C8x C    16.7971  -27.2953
            4   C8y C    18.1269  -26.5954
            5   C8y C    18.1269  -25.1957
            6   C8x C    16.7971  -24.4958
            7   C8y C    19.3167  -27.2953
            8   N5x N    20.5065  -26.5954
            9   C8y C    20.5065  -25.1957
            10  N5x N    19.3167  -24.4958
            11  C1a C    19.3167  -28.6950
            12  C1b C    21.6963  -24.4958
            13  N4y N    22.8860  -25.1957
            14  C8y C    22.8860  -26.5954
            15  N4y N    24.1458  -27.2953
            16  C8y C    25.3356  -26.5954
            17  C8y C    25.3356  -25.1957
            18  C8y C    24.1458  -24.4958
            19  O5x O    24.1458  -23.0960
            20  O5x O    21.6963  -27.2953
            21  C1a C    24.1458  -28.6950
            22  N5x N    26.6654  -27.0153
            23  C8y C    27.5053  -25.8955
            24  N4y N    26.6654  -24.7757
            25  N1y N    28.9050  -25.8955
            26  C1x C    29.6049  -27.0853
            27  C1y C    31.0046  -27.0853
            28  C1x C    31.7045  -25.8955
            29  C1x C    31.0046  -24.7057
            30  C1x C    29.6049  -24.7057
            31  N1a N    31.7045  -28.3451
            32  C1b C    27.3653  -23.5859
            33  C3b C    28.7650  -23.5859
            34  C3b C    30.1648  -23.5859
            35  C1a C    31.5646  -23.5859
BOND        39
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    7  11 1
            13    9  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   13  18 1
            21   18  19 2
            22   14  20 2
            23   15  21 1
            24   16  22 1
            25   22  23 2
            26   23  24 1
            27   17  24 1
            28   23  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   25  30 1
            35   27  31 1 #Up
            36   32  33 1
            37   32  24 1
            38   33  34 3
            39   34  35 1

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