KEGG   DRUG: Teneligliptin hydrobromide
Entry
D11968                      Drug                                   
Name
Teneligliptin hydrobromide (JAN)
Formula
(C22H30N6OS)2. 5HBr
Exact mass
1252.0712
Mol weight
1257.7161
Structure
Class
Antidiabetic agent
 DG01601  DPP-4 inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG03191  FMO1 substrate
 DG02950  FMO3 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
 DG02951  FMO inhibitor
Remark
ATC code: A10BH08
Chemical structure group: DG01283
Product (DG01283): D09756<JP>
Efficacy
Antidiabetic, Dipeptidyl peptidase-4 (DPP-4) inhibitor
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
      D11968  Teneligliptin hydrobromide (JAN)
Drug groups [BR:br08330]
 Antidiabetic agent
  DG01601  DPP-4 inhibitor
   DG01283  Teneligliptin
    D11968  Teneligliptin hydrobromide
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01283  Teneligliptin
     D11968  Teneligliptin hydrobromide
  DG03191  FMO1 substrate
   DG01283  Teneligliptin
    D11968  Teneligliptin hydrobromide
  DG02950  FMO3 substrate
   DG01283  Teneligliptin
    D11968  Teneligliptin hydrobromide
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG01283  Teneligliptin
    D11968  Teneligliptin hydrobromide
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG01283  Teneligliptin
     D11968  Teneligliptin hydrobromide
  DG02951  FMO inhibitor
   DG01283  Teneligliptin
    D11968  Teneligliptin hydrobromide
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-peptidases
    DPP4 (CD26)
     D11968  Teneligliptin hydrobromide (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11968
Drug groups [BR:br08330]
 Antidiabetic agent
  DG01601  DPP-4 inhibitor
   DG01283  Teneligliptin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01283  Teneligliptin
  DG03191  FMO1 substrate
   DG01283  Teneligliptin
  DG02950  FMO3 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
Other DBs
CAS: 906093-29-6
LinkDB
KCF data

ATOM        65
            1   N1x N    18.7600  -13.2300
            2   C1x C    17.3600  -13.2300
            3   C1y C    16.9400  -14.5600
            4   C1x C    18.0600  -15.4000
            5   C1y C    19.1800  -14.5600
            6   C5a C    20.3700  -15.2600
            7   N1y N    21.5600  -14.5600
            8   C1x C    23.3800  -13.2300
            9   C1x C    21.9800  -13.2300
            10  C1x C    22.6800  -15.4000
            11  S2x S    23.8000  -14.5600
            12  N1y N    15.7500  -15.2600
            13  C1x C    14.5600  -14.5600
            14  C1x C    13.3000  -15.2600
            15  N1y N    13.3000  -16.6600
            16  C1x C    14.4900  -17.3600
            17  C1x C    15.7500  -16.6600
            18  C8y C    12.1100  -17.3600
            19  C8y C    10.2900  -18.6900
            20  C8x C    11.6900  -18.6900
            21  N4y N    10.9900  -16.5200
            22  N5x N     9.8700  -17.3600
            23  C8y C    10.9900  -15.1200
            24  C8x C    12.1800  -14.4200
            25  C8x C    12.1800  -13.0200
            26  C8x C    10.9900  -12.3200
            27  C8x C     9.8000  -13.0200
            28  C8x C     9.8000  -14.4200
            29  C1a C     9.4500  -19.8100
            30  O5a O    20.3700  -16.6600
            31  X   Br   28.1400  -16.3800
            32  N1x N    18.7600  -13.2300
            33  C1x C    17.3600  -13.2300
            34  C1y C    16.9400  -14.5600
            35  C1x C    18.0600  -15.4000
            36  C1y C    19.1800  -14.5600
            37  C5a C    20.3700  -15.2600
            38  N1y N    21.5600  -14.5600
            39  C1x C    21.9800  -13.2300
            40  C1x C    23.3800  -13.2300
            41  S2x S    23.8000  -14.5600
            42  C1x C    22.6800  -15.4000
            43  O5a O    20.3700  -16.6600
            44  N1y N    15.7500  -15.2600
            45  C1x C    14.5600  -14.5600
            46  C1x C    13.3000  -15.2600
            47  N1y N    13.3000  -16.6600
            48  C1x C    14.4900  -17.3600
            49  C1x C    15.7500  -16.6600
            50  C8y C    12.1100  -17.3600
            51  C8x C    11.6900  -18.6900
            52  C8y C    10.2900  -18.6900
            53  N5x N     9.8700  -17.3600
            54  N4y N    10.9900  -16.5200
            55  C8y C    10.9900  -15.1200
            56  C8x C    12.1800  -14.4200
            57  C8x C    12.1800  -13.0200
            58  C8x C    10.9900  -12.3200
            59  C8x C     9.8000  -13.0200
            60  C8x C     9.8000  -14.4200
            61  C1a C     9.4500  -19.8100
            62  X   Br   28.1400  -16.3800
            63  X   Br   28.1400  -16.3800
            64  X   Br   28.1400  -16.3800
            65  X   Br   28.1400  -16.3800
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   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   32  36 1
            40   36  37 1 #Down
            41   37  38 1
            42   40  39 1
            43   39  38 1
            44   38  42 1
            45   42  41 1
            46   40  41 1
            47   34  44 1 #Down
            48   44  45 1
            49   45  46 1
            50   46  47 1
            51   47  48 1
            52   48  49 1
            53   44  49 1
            54   47  50 1
            55   52  51 1
            56   51  50 2
            57   50  54 1
            58   54  53 1
            59   52  53 2
            60   54  55 1
            61   55  56 2
            62   56  57 1
            63   57  58 2
            64   58  59 1
            65   59  60 2
            66   55  60 1
            67   52  61 1
            68   37  43 2
BRACKET     1     7.7000  -20.5800    7.7000  -11.8300
            1    24.2200  -11.8300   24.2200  -20.5800
            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   32  33  34  35  36  37  38  39  40  41  42  43  44  45  46  47
            1   48  49  50  51  52  53  54  55  56  57  58  59  60  61
            2    26.8100  -17.0100   26.8100  -15.7500
            2    29.2600  -15.7500   29.2600  -17.0100
            2  5
 ORIGINAL  2   31
 REPEAT    2   62  63  64  65

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