KEGG   DRUG: Teneligliptin hydrobromide hydrate
Entry
D09756                      Drug                                   
Name
Teneligliptin hydrobromide hydrate (JAN)
Formula
(C22H30N6OS)2. 5HBr. xH2O
Structure
Class
Antidiabetic agent
 DG02044  Hypoglycemic agent
  DG01601  DPP-4 inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
 DG02951  FMO inhibitor
Unclassified
 DG03306  FMO substrate
  DG03191  FMO1 substrate
  DG02950  FMO3 substrate
Remark
Therapeutic category: 3969
ATC code: A10BH08
Chemical structure group: DG01283
Product (DG01283): D09756<JP>
Product (mixture): D10897<JP>
Efficacy
Antidiabetic, Dipeptidyl peptidase-4 (DPP-4) inhibitor
  Disease
Type 2 diabetes mellitus [DS:H00409]
Target
DPP4 (CD26) [HSA:1803] [KO:K01278]
  Pathway
hsa04974  Protein digestion and absorption
Metabolism
Enzyme: CYP3A4 [HSA:1576], FMO1 [HSA:2326], FMO3 [HSA:2328]
Interaction
CYP inhibition: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576], FMO [HSA:2326 2327 2328 2329 2330]
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
     A10BH08 Teneligliptin
      D09756  Teneligliptin hydrobromide hydrate (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   396  Antidiabetic agents
    3969  Others
     D09756  Teneligliptin hydrobromide hydrate (JAN)
Drug groups [BR:br08330]
 Antidiabetic agent
  DG02044  Hypoglycemic agent
   DG01601  DPP-4 inhibitor
    DG01283  Teneligliptin
     D09756  Teneligliptin hydrobromide hydrate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01283  Teneligliptin
     D09756  Teneligliptin hydrobromide hydrate
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG01283  Teneligliptin
    D09756  Teneligliptin hydrobromide hydrate
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG01283  Teneligliptin
     D09756  Teneligliptin hydrobromide hydrate
  DG02951  FMO inhibitor
   DG01283  Teneligliptin
    D09756  Teneligliptin hydrobromide hydrate
 Unclassified
  DG03306  FMO substrate
   DG03191  FMO1 substrate
    DG01283  Teneligliptin
     D09756  Teneligliptin hydrobromide hydrate
   DG02950  FMO3 substrate
    DG01283  Teneligliptin
     D09756  Teneligliptin hydrobromide hydrate
Drug classes [BR:br08332]
 Antidiabetic agent
  DG01601  DPP-4 inhibitor
   D09756  Teneligliptin hydrobromide hydrate
  DG02044  Hypoglycemic agent
   D09756  Teneligliptin hydrobromide hydrate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-peptidases
    DPP4 (CD26)
     D09756  Teneligliptin hydrobromide hydrate (JAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09756
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09756
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09756
Drug groups [BR:br08330]
 Antidiabetic agent
  DG02044  Hypoglycemic agent
   DG01601  DPP-4 inhibitor
    DG01283  Teneligliptin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01283  Teneligliptin
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG01283  Teneligliptin
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG01283  Teneligliptin
  DG02951  FMO inhibitor
   DG01283  Teneligliptin
 Unclassified
  DG03306  FMO substrate
   DG03191  FMO1 substrate
    DG01283  Teneligliptin
   DG02950  FMO3 substrate
    DG01283  Teneligliptin
Other DBs
CAS: 1572583-29-9
PubChem: 124490496
LigandBox: D09756
KCF data

ATOM        66
            1   N1x N    24.6400  -14.0000
            2   C1x C    23.2400  -14.0000
            3   C1y C    22.8200  -15.3300
            4   C1x C    23.9400  -16.1700
            5   C1y C    25.0600  -15.3300
            6   C5a C    26.2500  -16.0300
            7   N1y N    27.4400  -15.3300
            8   C1x C    29.2600  -14.0000
            9   C1x C    27.8600  -14.0000
            10  C1x C    28.5600  -16.1700
            11  S2x S    29.6800  -15.3300
            12  N1y N    21.6300  -16.0300
            13  C1x C    20.4400  -15.3300
            14  C1x C    19.1800  -16.0300
            15  N1y N    19.1800  -17.4300
            16  C1x C    20.3700  -18.1300
            17  C1x C    21.6300  -17.4300
            18  C8y C    17.9900  -18.1300
            19  C8y C    16.1700  -19.4600
            20  C8x C    17.5700  -19.4600
            21  N4y N    16.8700  -17.2900
            22  N5x N    15.7500  -18.1300
            23  C8y C    16.8700  -15.8900
            24  C8x C    18.0600  -15.1900
            25  C8x C    18.0600  -13.7900
            26  C8x C    16.8700  -13.0900
            27  C8x C    15.6800  -13.7900
            28  C8x C    15.6800  -15.1900
            29  C1a C    15.3300  -20.5800
            30  O5a O    26.2500  -17.4300
            31  X   Br   34.0200  -14.3500
            32  O0  O    34.5800  -17.0100
            33  N1x N    24.6400  -14.0000
            34  C1x C    23.2400  -14.0000
            35  C1y C    22.8200  -15.3300
            36  C1x C    23.9400  -16.1700
            37  C1y C    25.0600  -15.3300
            38  C5a C    26.2500  -16.0300
            39  N1y N    27.4400  -15.3300
            40  C1x C    27.8600  -14.0000
            41  C1x C    29.2600  -14.0000
            42  S2x S    29.6800  -15.3300
            43  C1x C    28.5600  -16.1700
            44  O5a O    26.2500  -17.4300
            45  N1y N    21.6300  -16.0300
            46  C1x C    20.4400  -15.3300
            47  C1x C    19.1800  -16.0300
            48  N1y N    19.1800  -17.4300
            49  C1x C    20.3700  -18.1300
            50  C1x C    21.6300  -17.4300
            51  C8y C    17.9900  -18.1300
            52  C8x C    17.5700  -19.4600
            53  C8y C    16.1700  -19.4600
            54  N5x N    15.7500  -18.1300
            55  N4y N    16.8700  -17.2900
            56  C8y C    16.8700  -15.8900
            57  C8x C    18.0600  -15.1900
            58  C8x C    18.0600  -13.7900
            59  C8x C    16.8700  -13.0900
            60  C8x C    15.6800  -13.7900
            61  C8x C    15.6800  -15.1900
            62  C1a C    15.3300  -20.5800
            63  X   Br   34.0200  -14.3500
            64  X   Br   34.0200  -14.3500
            65  X   Br   34.0200  -14.3500
            66  X   Br   34.0200  -14.3500
BOND        68
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1 #Down
            7     6   7 1
            8     8   9 1
            9     9   7 1
            10    7  10 1
            11   10  11 1
            12    8  11 1
            13    3  12 1 #Down
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   15  18 1
            21   19  20 1
            22   20  18 2
            23   18  21 1
            24   21  22 1
            25   19  22 2
            26   21  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   23  28 1
            33   19  29 1
            34    6  30 2
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   33  37 1
            40   37  38 1 #Down
            41   38  39 1
            42   41  40 1
            43   40  39 1
            44   39  43 1
            45   43  42 1
            46   41  42 1
            47   35  45 1 #Down
            48   45  46 1
            49   46  47 1
            50   47  48 1
            51   48  49 1
            52   49  50 1
            53   45  50 1
            54   48  51 1
            55   53  52 1
            56   52  51 2
            57   51  55 1
            58   55  54 1
            59   53  54 2
            60   55  56 1
            61   56  57 2
            62   57  58 1
            63   58  59 2
            64   59  60 1
            65   60  61 2
            66   56  61 1
            67   53  62 1
            68   38  44 2
BRACKET     1    13.5800  -21.3500   13.5800  -12.6000
            1    30.1000  -12.6000   30.1000  -21.3500
            1  2
 ORIGINAL  1    1   2   3   4   5   6   7   9   8  11  10  30  12  13  14  15
            1   16  17  18  20  19  22  21  23  24  25  26  27  28  29
 REPEAT    1   33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48
            1   49  50  51  52  53  54  55  56  57  58  59  60  61  62
            2    32.6900  -14.9800   32.6900  -13.7200
            2    35.1400  -13.7200   35.1400  -14.9800
            2  5
 ORIGINAL  2   31
 REPEAT    2   63  64  65  66
            3    32.8300  -17.7100   32.8300  -16.3800
            3    35.0700  -16.3800   35.0700  -17.7100
            3  x
 ORIGINAL  3   32
 REPEAT    3

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