KEGG   DRUG: VildagliptinHelp
Entry
D07080                      Drug                                   

Name
Vildagliptin (JAN/USAN/INN);
Equa (TN);
Galvus (TN)
Formula
C17H25N3O2
Exact mass
303.1947
Mol weight
303.3993
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antidiabetic agent
 DG01601  DPP-4 inhibitor
 DG02044  Hypoglycemics
  DG01601  DPP-4 inhibitor
Remark
Therapeutic category: 3969
ATC code: A10BH02
Product: D07080<JP>
Product (mixture): D10743<JP>
Efficacy
Antidiabetic, Dipeptidyl peptidase-4 (DPP-4) inhibitor
Target
DPP4 (CD26) [HSA:1803] [KO:K01278]
  Pathway
hsa04974  Protein digestion and absorption
Interaction
Drug interaction
Structure map
map07051  Antidiabetics
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
     A10BH02 Vildagliptin
      D07080  Vildagliptin (JAN/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   396  Antidiabetic agents
    3969  Others
     D07080  Vildagliptin (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-peptidases
    DPP4 (CD26)
     D07080  Vildagliptin (JAN/USAN/INN) <JP>
Drug classes of therapeutic agents [br08360.html]
 Antidiabetic agents
  D07080
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07080
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D07080
BRITE hierarchy
Other DBs
CAS: 274901-16-5
PubChem: 51091422
ChEMBL: CHEMBL142703 CHEMBL3084811
LigandBox: D07080
NIKKAJI: J2.160.644H
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1z C    16.8876  -17.1565
            2   C1x C    16.1956  -18.5404
            3   C1y C    16.1956  -19.7858
            4   C1y C    15.7113  -19.0939
            5   C1z C    17.9947  -19.0939
            6   C1x C    14.6042  -20.2010
            7   C1x C    17.3027  -20.8237
            8   C1x C    15.7113  -17.7793
            9   C1x C    16.8876  -19.7166
            10  C1x C    17.9947  -17.7793
            11  N1b N    16.8876  -15.8419
            12  O1a O    19.1890  -18.3949
            13  C1b C    18.0860  -15.1499
            14  C5a C    19.2677  -15.8324
            15  O5a O    19.2678  -17.2254
            16  N1y N    20.4413  -15.1547
            17  C1x C    20.8738  -16.4560
            18  C1x C    22.2327  -16.4309
            19  C1x C    22.6287  -15.1307
            20  C1y C    21.5145  -14.3523
            21  C3b C    21.4915  -12.9362
            22  N3a N    21.5178  -11.5519
BOND        25
            1     1   2 1
            2     2   3 1
            3     8   4 1
            4     4   9 1
            5     9   5 1
            6     5  10 1
            7    10   1 1
            8     1   8 1
            9     3   6 1
            10    3   7 1
            11    4   6 1
            12    5   7 1
            13    1  11 1
            14    5  12 1
            15   11  13 1
            16   13  14 1
            17   14  15 2
            18   14  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   16  20 1
            24   20  21 1 #Down
            25   21  22 3

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