KEGG   DRUG: Teneligliptin
Entry
D08616                      Drug                                   

Name
Teneligliptin (INN)
Formula
C22H30N6OS
Exact mass
426.2202
Mol weight
426.5782
Structure
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
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
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
Other DBs
CAS: 760937-92-6
PubChem: 96025300
ChEMBL: CHEMBL2147777
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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