KEGG   DRUG: Leriglitazone hydrochloride
Entry
D11604                      Drug                                   

Name
Leriglitazone hydrochloride (USAN)
Formula
C19H20N2O4S. HCl
Exact mass
408.0911
Mol weight
408.899
Structure
Remark
Chemical structure group: DG03060
Efficacy
Peroxisome proliferator-activated receptor (PPAR) gamma agonist
Comment
Treatment of X-linked adrenoleukodystrophy
Target
NR1C3 (PPARG) [HSA:5468] [KO:K08530]
  Pathway
hsa03320  PPAR signaling pathway
hsa04152  AMPK signaling pathway
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Peroxisome proliferator-activated receptor (PPAR)
    NR1C3 (PPARG)
     D11604  Leriglitazone hydrochloride (USAN)
Other DBs
PubChem: 405226471
ChEMBL: CHEMBL4298170
LinkDB
KCF data

ATOM        27
            1   C1y C    24.1229  -16.0820
            2   C1b C    22.9343  -15.3827
            3   C5x C    24.1229  -17.4804
            4   S2x S    25.4515  -15.6624
            5   C8y C    21.7456  -16.0820
            6   N1x N    25.4515  -17.8999
            7   O5x O    23.0042  -18.3195
            8   C5x C    26.2905  -16.7812
            9   C8x C    20.4870  -15.3827
            10  C8x C    21.7456  -17.4804
            11  O5x O    27.6889  -16.7812
            12  C8x C    19.2984  -16.0820
            13  C8x C    20.4870  -18.1796
            14  C8y C    19.2984  -17.4804
            15  O2a O    18.1097  -18.1796
            16  C1b C    16.8511  -17.4804
            17  C1b C    15.6624  -18.1796
            18  C8y C    14.4738  -17.4804
            19  C8x C    14.4738  -16.0820
            20  N5x N    13.2152  -18.1796
            21  C8x C    13.2152  -15.3827
            22  C8x C    12.0265  -17.4804
            23  C8y C    12.0265  -16.0820
            24  C1c C    10.8378  -15.3827
            25  C1a C     9.5793  -16.0820
            26  O1a O    10.8378  -13.9843
            27  X   Cl   29.6100  -18.6200
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    8  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 2
            19   18  20 1
            20   19  21 1
            21   20  22 2
            22   21  23 2
            23   23  24 1
            24   24  25 1
            25    6   8 1
            26   13  14 1
            27   22  23 1
            28   24  26 1

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