KEGG   DRUG: Saxagliptin
Entry
D08996                      Drug                                   
Name
Saxagliptin (USAN/INN)
Formula
C18H25N3O2
Exact mass
315.1947
Mol weight
315.41
Structure
Simcomp
Class
Antidiabetic agent
 DG02044  Hypoglycemic agent
  DG01601  DPP-4 inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Remark
ATC code: A10BH03
Chemical structure group: DG00119
Product (DG00119): D09753<JP> D10262<US>
Product (mixture): D10263<US> 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
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
      D08996  Saxagliptin (USAN/INN)
Drug groups [BR:br08330]
 Antidiabetic agent
  DG02044  Hypoglycemic agent
   DG01601  DPP-4 inhibitor
    DG00119  Saxagliptin
     D08996  Saxagliptin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00119  Saxagliptin
     D08996  Saxagliptin
  DG02925  CYP3A5 substrate
   DG00119  Saxagliptin
    D08996  Saxagliptin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Peptidyl-peptidases
    DPP4 (CD26)
     D08996  Saxagliptin (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08996
Drug groups [BR:br08330]
 Antidiabetic agent
  DG02044  Hypoglycemic agent
   DG01601  DPP-4 inhibitor
    DG00119  Saxagliptin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00119  Saxagliptin
  DG02925  CYP3A5 substrate
   DG00119  Saxagliptin
Other DBs
CAS: 361442-04-8
PubChem: 96025679
ChEBI: 71272
LigandBox: D08996
LinkDB
KCF data

ATOM        23
            1   C1z C    23.5200  -27.9300
            2   C1x C    22.8200  -29.3300
            3   C1y C    22.8200  -30.5900
            4   C1y C    22.3300  -29.8900
            5   C1z C    24.6400  -29.8900
            6   C1x C    21.2800  -31.0100
            7   C1x C    23.9400  -31.5700
            8   C1x C    22.3300  -28.5600
            9   C1x C    23.5200  -30.5200
            10  C1x C    24.6400  -28.5600
            11  C1c C    23.5200  -26.5300
            12  C5a C    24.7100  -25.8300
            13  N1a N    22.3300  -25.8300
            14  N1y N    25.9000  -26.5300
            15  O5a O    24.7100  -24.4300
            16  C1y C    26.3900  -27.8600
            17  C1y C    27.7900  -27.8600
            18  C1x C    28.2100  -26.4600
            19  C1y C    27.0200  -25.6900
            20  C3b C    27.0200  -24.2900
            21  N3a N    27.0200  -22.8900
            22  O1a O    26.0400  -29.8900
            23  C1x C    27.0900  -29.0500
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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