KEGG   DRUG: AleglitazarHelp
Entry
D08845                      Drug                                   

Name
Aleglitazar (USAN)
Formula
C24H23NO5S
Exact mass
437.1297
Mol weight
437.5081
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antidiabetic agent
 DG01685  Insulin sensitizer
  DG01795  PPAR gamma agonist
   DG01732  Non-thiazolidinedione type PPAR agonist
Other
 DG01733  PPAR agonist
  DG01732  Non-thiazolidinedione type PPAR agonist
Activity
Treatment of type II diabetes
Target
NR1C1 (PPARA) [HSA:5465] [KO:K07294];
NR1C3 (PPARG) [HSA:5468] [KO:K08530]
  Pathway
PPAR signaling pathway
Adipocytokine signaling pathway
Interaction
Drug interaction
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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