KEGG   DRUG: Saroglitazar
Entry
D13044                      Drug                                   
Name
Saroglitazar (USAN/INN)
Formula
C25H29NO4S
Exact mass
439.1817
Mol weight
439.57
Structure
Remark
Chemical structure group: DG03333
Efficacy
Peroxisome proliferator-activated receptor (PPAR) agonist
Comment
Treatment of primary biliary cholangitis, non-alcoholic steatohepatitis and nonalcoholic fatty liver disease in women with polycystic ovary syndrome
Target
NR1C (PPAR) [HSA:5465 5467 5468] [KO:K07294 K04504 K08530]
  Pathway
hsa03320  PPAR signaling pathway
hsa04920  Adipocytokine signaling pathway
hsa04932  Non-alcoholic fatty liver disease
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Peroxisome proliferator-activated receptor (PPAR)
    NR1C (PPAR)
     D13044  Saroglitazar (USAN/INN)
Other DBs
CAS: 495399-09-2
PubChem: 505917317
LinkDB
KCF data

ATOM        31
            1   C8y C    23.8700  -13.5100
            2   C8x C    23.8700  -12.1100
            3   C8x C    25.0600  -11.4100
            4   C8y C    26.3200  -12.1100
            5   C8x C    26.3200  -13.5100
            6   C8x C    25.0600  -14.2100
            7   O2a O    22.6800  -14.2100
            8   C1b C    21.4900  -13.5100
            9   C1b C    20.3000  -14.2100
            10  N4y N    19.1100  -13.5100
            11  C8y C    17.8500  -14.0700
            12  C8x C    16.9400  -13.0900
            13  C8x C    17.5700  -11.9000
            14  C8y C    18.9700  -12.1800
            15  C1a C    19.9500  -11.2000
            16  C8y C    17.5700  -15.4700
            17  C8x C    18.6200  -16.3800
            18  C8x C    18.3400  -17.7800
            19  C8y C    17.0100  -18.2000
            20  C8x C    15.8900  -17.2200
            21  C8x C    16.2400  -15.8900
            22  S2a S    16.7300  -19.6000
            23  C1a C    15.4000  -20.0200
            24  C1b C    27.5100  -11.4100
            25  C1c C    28.7000  -12.1100
            26  C6a C    29.8900  -11.4100
            27  O2a O    28.7000  -13.5100
            28  C1b C    29.8900  -14.2100
            29  C1a C    31.0800  -13.5100
            30  O6a O    31.0800  -12.1100
            31  O6a O    29.8900  -10.0100
BOND        33
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   10  14 1
            16   14  15 1
            17   11  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   19  22 1
            25   22  23 1
            26    4  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 1 #Up
            30   27  28 1
            31   28  29 1
            32   26  30 1
            33   26  31 2

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