KEGG   DRUG: Saxagliptin hydrateHelp
Entry
D09753                      Drug                                   

Name
Saxagliptin hydrate (JAN/USAN);
Onglyza (TN)
Formula
C18H25N3O2. H2O
Exact mass
333.2052
Mol weight
333.4253
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antidiabetic agent
 DG01601  DPP-4 inhibitor
 DG02044  Hypoglycemics
  DG01601  DPP-4 inhibitor
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Remark
Therapeutic category: 3969
ATC code: A10BH03
Chemical structure group: DG00119
Product (DG00119): D09753<JP> D10262<US>
Product (mixture): D10826<US>
Efficacy
Antidiabetic, Dipeptidyl peptidase-4 (DPP-4) inhibitor
Comment
Treatment of type II diabetes mellitus and metabolic syndrome
Target
DPP4 (CD26) [HSA:1803] [KO:K01278]
  Pathway
hsa04974  Protein digestion and absorption
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]
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
     A10BH03 Saxagliptin
      D09753  Saxagliptin hydrate (JAN/USAN) <JP>
USP drug classification [BR:br08302]
 Blood Glucose Regulators
  Antidiabetic Agents
   Dipeptidyl Peptidase-4 (DPP-4) Inhibitor
    Saxagliptin
     D09753  Saxagliptin hydrate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   396  Antidiabetic agents
    3969  Others
     D09753  Saxagliptin hydrate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-peptidases
    DPP4 (CD26)
     D09753  Saxagliptin hydrate (JAN/USAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09753
BRITE hierarchy
Other DBs
CAS: 945667-22-1
PubChem: 124490493
ChEBI: 71271
ChEMBL: CHEMBL2103745
LigandBox: D09753
KCF data Show

ATOM        24
            1   C1z C    23.3800  -20.7900
            2   C1x C    22.6800  -22.1900
            3   C1y C    22.6800  -23.4500
            4   C1y C    22.1900  -22.7500
            5   C1z C    24.5000  -22.7500
            6   C1x C    21.1400  -23.8700
            7   C1x C    23.8000  -24.4300
            8   C1x C    22.1900  -21.4200
            9   C1x C    23.3800  -23.3800
            10  C1x C    24.5000  -21.4200
            11  C1c C    23.3800  -19.3900
            12  C5a C    24.5700  -18.7600
            13  N1a N    22.1900  -18.7600
            14  N1y N    25.7600  -19.3900
            15  O5a O    24.5700  -17.3600
            16  C1y C    26.1800  -20.7200
            17  C1y C    27.5800  -20.7200
            18  C1x C    28.0000  -19.3200
            19  C1y C    26.8100  -18.6200
            20  C3b C    26.8100  -17.2200
            21  N3a N    26.8100  -15.8200
            22  O1a O    25.8300  -22.7500
            23  C1x C    26.8800  -21.9100
            24  O0  O    29.1200  -24.3600
BOND        27
            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   11  12 1
            15   11  13 1 #Down
            16   12  14 1
            17   12  15 2
            18   14  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   14  19 1
            23   19  20 1 #Down
            24   20  21 3
            25    5  22 1
            26   17  23 1
            27   23  16 1

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