KEGG   DRUG: Teneligliptin hydrobromide hydrateHelp
Entry
D09756                      Drug                                   

Name
Teneligliptin hydrobromide hydrate (JAN)
Formula
(C22H30N6OS)2. 5HBr. xH2O
Structure
Mol fileKCF fileDB search
Class
Antidiabetic agent
 DG01601  DPP-4 inhibitor
 DG02044  Hypoglycemics
  DG01601  DPP-4 inhibitor
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
 DG02950  FMO substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG01522  CYP3A4 inhibitor
 DG02951  FMO inhibitor
Remark
Therapeutic category: 3969
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]
Drug interaction
Brite
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)
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
BRITE hierarchy
Other DBs
PubChem: 124490496
LigandBox: D09756
LinkDB All DBs
KCF data Show

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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