| Entry |
|
|---|
| Name |
Saroglitazar magnesium (USAN) |
|---|
| Formula |
(C25H28NO4S)2. Mg
|
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| Exact mass |
900.3329
|
|---|
| Mol weight |
901.43
|
|---|
| Structure |
|
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| Remark |
|
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| 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
|
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| Target |
|
|---|
| 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)
D13045 Saroglitazar magnesium (USAN)
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 63
1 C8y C 20.1600 -15.4700
2 C8x C 20.1600 -14.0700
3 C8x C 21.3500 -13.3700
4 C8y C 22.6100 -14.0700
5 C8x C 22.6100 -15.4700
6 C8x C 21.3500 -16.1700
7 O2a O 18.9700 -16.1700
8 C1b C 17.7100 -15.4700
9 C1b C 16.5200 -16.1700
10 N4y N 15.3300 -15.4700
11 C8y C 14.0700 -16.0300
12 C8x C 13.1600 -15.0500
13 C8x C 13.7900 -13.8600
14 C8y C 15.1900 -14.1400
15 C1a C 16.1700 -13.1600
16 C8y C 13.7900 -17.4300
17 C8x C 14.8400 -18.3400
18 C8x C 14.5600 -19.7400
19 C8y C 13.2300 -20.1600
20 C8x C 12.1100 -19.1800
21 C8x C 12.4600 -17.8500
22 S2a S 12.9500 -21.5600
23 C1a C 11.6200 -21.9800
24 C1b C 23.8000 -13.3700
25 C1c C 24.9900 -14.0700
26 C6a C 26.1800 -13.3700
27 O2a O 24.9900 -15.4700
28 O6a O 27.3700 -14.0700 #-
29 O6a O 26.1800 -11.9700
30 C1b C 23.8000 -16.1700
31 C1a C 23.8000 -17.5700
32 C8y C 35.2100 -16.8700
33 C8x C 35.2100 -18.2700
34 C8x C 34.0200 -18.9700
35 C8y C 32.7600 -18.2700
36 C8x C 32.7600 -16.8700
37 C8x C 34.0200 -16.1700
38 O2a O 36.4000 -16.1700
39 C1b C 37.6600 -16.8700
40 C1b C 38.8500 -16.1700
41 N4y N 40.0400 -16.8700
42 C8y C 41.3000 -16.3100
43 C8x C 42.2100 -17.2900
44 C8x C 41.5800 -18.4800
45 C8y C 40.1800 -18.2000
46 C1a C 39.2000 -19.1800
47 C8y C 41.5800 -14.9100
48 C8x C 40.5300 -14.0000
49 C8x C 40.8100 -12.6000
50 C8y C 42.1400 -12.1800
51 C8x C 43.3300 -13.1600
52 C8x C 42.9800 -14.4900
53 S2a S 42.4200 -10.7800
54 C1a C 43.8200 -10.3600
55 C1b C 31.5700 -18.9700
56 C1c C 30.3800 -18.2700
57 C6a C 29.1900 -18.9700
58 O2a O 30.3800 -16.8700
59 O6a O 28.0000 -18.2700 #-
60 O6a O 29.1900 -20.4400
61 C1b C 31.5700 -16.1700
62 C1a C 31.5700 -14.7700
63 Z Mg 27.0900 -16.1700 #2+
BOND 66
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 26 28 1
31 26 29 2
32 27 30 1
33 30 31 1
34 32 33 2
35 33 34 1
36 34 35 2
37 35 36 1
38 36 37 2
39 32 37 1
40 32 38 1
41 38 39 1
42 39 40 1
43 40 41 1
44 41 42 1
45 42 43 2
46 43 44 1
47 44 45 2
48 41 45 1
49 45 46 1
50 42 47 1
51 47 48 2
52 48 49 1
53 49 50 2
54 50 51 1
55 51 52 2
56 47 52 1
57 50 53 1
58 53 54 1
59 35 55 1
60 55 56 1
61 56 57 1
62 56 58 1 #Up
63 57 59 1
64 57 60 2
65 58 61 1
66 61 62 1
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|---|
