KEGG   DRUG: Teneligliptin
Entry
D08616                      Drug                                   
Name
Teneligliptin (INN)
Formula
C22H30N6OS
Exact mass
426.2202
Mol weight
426.5782
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
ATC code: A10BH08
Chemical structure group: DG01283
Product (DG01283): D09756<JP>
Product (mixture): D10897<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
      D08616  Teneligliptin (INN)
Drug groups [BR:br08330]
 Antidiabetic agent
  DG02044  Hypoglycemic agent
   DG01601  DPP-4 inhibitor
    DG01283  Teneligliptin
     D08616  Teneligliptin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01283  Teneligliptin
     D08616  Teneligliptin
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG01283  Teneligliptin
    D08616  Teneligliptin
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG01283  Teneligliptin
     D08616  Teneligliptin
  DG02951  FMO inhibitor
   DG01283  Teneligliptin
    D08616  Teneligliptin
 Unclassified
  DG03306  FMO substrate
   DG03191  FMO1 substrate
    DG01283  Teneligliptin
     D08616  Teneligliptin
   DG02950  FMO3 substrate
    DG01283  Teneligliptin
     D08616  Teneligliptin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-peptidases
    DPP4 (CD26)
     D08616  Teneligliptin (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08616
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: 760937-92-6
PubChem: 96025300
PDB-CCD: M51[PDBj]
LigandBox: D08616
LinkDB
KCF data

ATOM        30
            1   C1x C    15.6800  -16.5900
            2   N1y N    15.6800  -17.9900
            3   C1x C    16.8700  -18.6900
            4   C1x C    18.1300  -17.9900
            5   N1y N    18.1300  -16.5900
            6   C1x C    16.8700  -15.8900
            7   C8y C    14.4900  -18.6900
            8   C1y C    19.3200  -15.8900
            9   N4y N    13.3000  -17.9200
            10  N5x N    12.2500  -18.7600
            11  C8y C    12.6700  -20.0200
            12  C8x C    14.0700  -20.0200
            13  C1a C    11.9000  -21.2100
            14  C8y C    13.3000  -16.5200
            15  C8x C    14.4900  -15.8200
            16  C8x C    14.4900  -14.4200
            17  C8x C    13.2300  -13.7200
            18  C8x C    12.0400  -14.4200
            19  C8x C    12.0400  -15.8200
            20  C1x C    20.4400  -16.6600
            21  C1y C    21.5600  -15.8900
            22  N1x N    21.1400  -14.5600
            23  C1x C    19.7400  -14.5600
            24  C5a C    22.7500  -16.5900
            25  N1y N    23.9400  -15.8900
            26  O5a O    22.7500  -17.9900
            27  C1x C    25.0612  -16.7284
            28  S2x S    26.2050  -15.9211
            29  C1x C    25.7907  -14.5838
            30  C1x C    24.3909  -14.5646
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     8   5 1 #Down
            9     7   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13    7  12 2
            14   11  13 1
            15    9  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22    8  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26    8  23 1
            27   21  24 1 #Down
            28   24  25 1
            29   24  26 2
            30   25  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   25  30 1

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