KEGG   DRUG: Rosiglitazone maleate
Entry
D00596                      Drug                                   

Name
Rosiglitazone maleate (JAN/USP);
Avandia (TN)
Formula
C18H19N3O3S. C4H4O4
Exact mass
473.1257
Mol weight
473.4989
Structure
Class
Antidiabetic agent
 DG01795  PPAR gamma agonist
  DG01683  Thiazolidinedione
Remark
ATC code: A10BG02
Chemical structure group: DG00116
Efficacy
Antidiabetic, Peroxisome proliferator-activated receptor (PPAR) gamma agonist
  Disease
Type 2 diabetes mellitus [DS:H00409]
Comment
Thiazolidinedione derivative
Target
NR1C3 (PPARG) [HSA:5468] [KO:K08530]
  Pathway
hsa03320  PPAR signaling pathway
hsa04152  AMPK signaling pathway
Interaction
Structure map
map07222  Peroxisome proliferator-activated receptor (PPAR) agonists
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
    A10BG Thiazolidinediones
     A10BG02 Rosiglitazone
      D00596  Rosiglitazone maleate (JAN/USP)
USP drug classification [BR:br08302]
 Blood Glucose Regulators
  Antidiabetic Agents
   Thiazolidinedione
    Rosiglitazone
     D00596  Rosiglitazone maleate (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Peroxisome proliferator-activated receptor (PPAR)
    NR1C3 (PPARG)
     D00596  Rosiglitazone maleate (JAN/USP)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D00596
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00596
Other DBs
CAS: 155141-29-0
PubChem: 7847662
ChEBI: 8892
ChEMBL: CHEMBL843
DrugBank: DB00412
LigandBox: D00596
LinkDB
KCF data

ATOM        33
            1   C1y C    36.8941  -13.6110
            2   C1b C    35.6829  -12.9146
            3   S2x S    38.2201  -13.1736
            4   C5x C    36.9094  -15.0237
            5   C8y C    34.4717  -13.6110
            6   C5x C    39.0590  -14.2996
            7   N1x N    38.2452  -15.4388
            8   O5x O    35.7838  -15.8568
            9   C8x C    33.2605  -12.9146
            10  C8x C    34.4717  -15.0153
            11  O5x O    40.4533  -14.2854
            12  C8x C    32.0493  -13.6110
            13  C8x C    33.2605  -15.7115
            14  C8y C    32.0493  -15.0153
            15  O2a O    30.8323  -15.7115
            16  C1b C    29.6211  -15.0153
            17  C1b C    28.4099  -15.7115
            18  N1c N    27.1987  -15.0153
            19  C8y C    25.9875  -15.7115
            20  C1a C    27.1987  -13.6110
            21  C8x C    25.9933  -17.1217
            22  N5x N    24.7763  -15.0211
            23  C8x C    24.7763  -17.8179
            24  C8x C    23.5651  -15.7174
            25  C8x C    23.5651  -17.1217
            26  C6a C    34.3185  -20.2162
            27  C2b C    33.6434  -19.0515
            28  O6a O    33.7189  -21.4564
            29  O6a O    35.6691  -20.2099
            30  C2b C    32.0265  -19.0577
            31  C6a C    31.3575  -20.2285
            32  O6a O    30.0069  -20.2285
            33  O6a O    32.0390  -21.4625
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 2
            11    9  12 1
            12   10  13 2
            13   12  14 2
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   21  23 2
            23   22  24 1
            24   23  25 1
            25    6   7 1
            26   13  14 1
            27   24  25 2
            28   26  27 1
            29   26  28 1
            30   26  29 2
            31   27  30 2
            32   30  31 1
            33   31  32 1
            34   31  33 2

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