KEGG   DRUG: Gemigliptin (prop.INN)
Entry
D10502                      Drug                                   

Name
Gemigliptin (prop.INN)
Formula
C18H19F8N5O2
Exact mass
489.1411
Mol weight
489.363
Structure
Class
Antidiabetic agent
 DG01601  DPP-4 inhibitor
 DG02044  Hypoglycemics
  DG01601  DPP-4 inhibitor
Remark
ATC code: A10BH06
Efficacy
Antidiabetic, Dipeptidyl peptidase-4 (DPP-4) inhibitor
Target
DPP4 (CD26) [HSA:1803] [KO:K01278]
  Pathway
hsa04974  Protein digestion and absorption
Interaction
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
     A10BH06 Gemigliptin
      D10502  Gemigliptin (prop.INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-peptidases
    DPP4 (CD26)
     D10502  Gemigliptin (prop.INN)
Other DBs
CAS: 911637-19-9
PubChem: 172232595
ChEMBL: CHEMBL3707235
LinkDB
KCF data

ATOM        33
            1   C1x C     7.1400  -16.3800
            2   C1x C     7.1400  -17.7800
            3   C5x C     8.3524  -18.4800
            4   N1y N     9.5649  -17.7800
            5   C1x C     9.5649  -16.3800
            6   C1z C     8.3524  -15.6800
            7   X   F     9.0524  -14.4676
            8   X   F     7.6524  -14.4676
            9   O5x O     8.3524  -19.8798
            10  C1b C    10.7960  -18.4910
            11  C1c C    12.0012  -17.7953
            12  C1b C    13.1835  -18.4781
            13  N1a N    12.0016  -16.3804
            14  C5a C    14.3775  -17.7888
            15  N1y N    15.5654  -18.4748
            16  O5a O    14.3777  -16.3803
            17  C1x C    15.5654  -19.8798
            18  C1x C    16.7778  -20.5798
            19  C8y C    17.9903  -19.8798
            20  C8y C    17.9903  -18.4748
            21  C1x C    16.7779  -17.7748
            22  C8y C    19.2027  -20.5798
            23  N5x N    20.4151  -19.8799
            24  C8y C    20.4152  -18.4749
            25  N5x N    19.2027  -17.7749
            26  C1d C    21.6438  -17.7653
            27  X   F    22.8563  -17.0653
            28  X   F    22.3438  -18.9777
            29  X   F    20.9438  -16.5528
            30  C1d C    19.2027  -21.9798
            31  X   F    20.6027  -21.9798
            32  X   F    17.8027  -21.9798
            33  X   F    19.2027  -23.3798
BOND        35
            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     6   7 1
            8     6   8 1
            9     3   9 2
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 1 #Up
            14   12  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   15  21 1
            23   19  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   20  25 2
            28   24  26 1
            29   26  27 1
            30   26  28 1
            31   26  29 1
            32   22  30 1
            33   30  31 1
            34   30  32 1
            35   30  33 1

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