KEGG   DRUG: D08845Help
Entry
D08845                      Drug                                   

Name
Aleglitazar (USAN)
Formula
C24H23NO5S
Exact mass
437.1297
Mol weight
437.5081
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of type II diabetes
Target
PPAR alpha agonist [HSA:5465] [KO:K07294];
PPAR gamma agonist [HSA:5468] [KO:K08530]
  Pathway
hsa03320  PPAR signaling pathway
hsa04920  Adipocytokine signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Peroxisome proliferator-activated receptor (PPAR)
    peroxisome proliferator-activated receptor (PPAR) alpha
     Aleglitazar
      D08845  Aleglitazar (USAN)
    peroxisome proliferator-activated receptor (PPAR) gamma
     Aleglitazar
      D08845  Aleglitazar (USAN)
BRITE hierarchy
Other DBs
CAS: 
475479-34-6
PubChem: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        31
            1   C8y C    16.4500  -20.5800
            2   C8y C    16.4500  -21.9800
            3   C8x C    17.6624  -22.6800
            4   C8x C    18.8749  -21.9800
            5   C8y C    18.8749  -20.5800
            6   C8y C    17.6624  -19.8800
            7   O2a O    15.2376  -22.6800
            8   C1b C    14.0421  -21.9896
            9   C1b C    12.8547  -22.6751
            10  C8y C    11.6635  -21.9871
            11  C8y C    11.6563  -20.5804
            12  O2x O    10.3189  -20.1529
            13  C8y C     9.4990  -21.2926
            14  N5x N    10.3297  -22.4246
            15  C1a C    12.8066  -19.7355
            16  C8y C     8.1201  -21.2990
            17  C8x C     7.4062  -20.0756
            18  C8x C     6.0062  -20.0822
            19  C8x C     5.3119  -21.2979
            20  C8x C     6.0258  -22.5212
            21  C8x C     7.4258  -22.5146
            22  S2x S    17.3714  -18.5106
            23  C8x C    15.9790  -18.3642
            24  C8x C    15.4096  -19.6432
            25  C1b C    20.1060  -19.8690
            26  C1c C    21.3112  -20.5647
            27  C6a C    22.4935  -19.8819
            28  O6a O    23.6875  -20.5712
            29  O6a O    22.4935  -18.4802
            30  O2a O    21.3116  -21.9796
            31  C1a C    22.5005  -22.6659
BOND        34
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15   10  14 1
            16   11  15 1
            17   13  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24    6  22 1
            25   22  23 1
            26   23  24 2
            27    1  24 1
            28    5  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   26  30 1 #Up
            34   30  31 1

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