KEGG   DRUG: OmarigliptinHelp
Entry
D10317                      Drug                                   

Name
Omarigliptin (JAN/USAN/INN)
Formula
C17H20F2N4O3S
Exact mass
398.1224
Mol weight
398.4275
Structure
Mol fileKCF fileDB search
Class
Antidiabetic agent
 DG01601  DPP-4 inhibitor
 DG02044  Hypoglycemics
  DG01601  DPP-4 inhibitor
Remark
Therapeutic category: 3969
Product: D10317<JP>
Efficacy
Antidiabetic, Dipeptidyl peptidase-4 (DPP-4) inhibitor
  Disease
Type 2 diabetes mellitus [DS:H00409]
Comment
Treatment of type 2 diabetes
Target
DPP4 (CD26) [HSA:1803] [KO:K01278]
  Pathway
hsa04974  Protein digestion and absorption
Interaction
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
     D10317  Omarigliptin (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-peptidases
    DPP4 (CD26)
     D10317  Omarigliptin (JAN/USAN/INN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10317
BRITE hierarchy
Other DBs
CAS: 1226781-44-7
PubChem: 163312347
ChEMBL: CHEMBL2105762 CHEMBL3645490
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    12.3200  -18.3400
            2   C8y C    12.3200  -19.7400
            3   C8x C    13.6515  -20.1726
            4   N4y N    14.4744  -19.0400
            5   N5x N    13.6515  -17.9074
            6   C1x C    10.9885  -17.9074
            7   N1y N    10.1656  -19.0400
            8   C1x C    10.9885  -20.1726
            9   S4a S    15.8900  -19.0400
            10  O3c O    15.8900  -20.4400
            11  O3c O    15.8900  -17.6400
            12  C1a C    17.2900  -19.0400
            13  C1y C     8.7500  -19.0400
            14  C1x C     8.0500  -17.8276
            15  C1y C     6.6500  -17.8276
            16  C1y C     5.9500  -19.0400
            17  O2x O     6.6500  -20.2524
            18  C1x C     8.0500  -20.2524
            19  C8y C     4.5500  -19.0400
            20  C8x C     3.8500  -17.8276
            21  C8y C     2.4500  -17.8276
            22  C8x C     1.7500  -19.0400
            23  C8x C     2.4500  -20.2524
            24  C8y C     3.8500  -20.2524
            25  X   F     4.5404  -21.4479
            26  X   F     1.7596  -16.6321
            27  N1a N     5.9596  -16.6321
BOND        30
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   8 1
            10    4   9 1
            11    9  10 2
            12    9  11 2
            13    9  12 1
            14   13   7 1 #Up
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   16  19 1 #Down
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1
            28   24  25 1
            29   21  26 1
            30   15  27 1 #Up

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