| Entry |
|
|---|
| Name |
Tropifexor (USAN) |
|---|
| Formula |
C29H25F4N3O5S
|
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| Exact mass |
603.1451
|
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| Mol weight |
603.5845
|
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| Structure |
|
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| Efficacy |
Anti-inflammatory, Farnesoid X receptor (FXR) agonist |
|---|
| Comment |
Treatment of non-alcoholic steatohepatitis
|
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| Target |
|
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| Pathway |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Liver X receptor like receptor
NR1H4 (FXR)
D11548 Tropifexor (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 42
1 C8y C 7.7000 -15.1200
2 C8x C 7.7000 -16.5200
3 C8y C 8.8900 -17.2200
4 C8y C 10.1500 -16.5200
5 C8y C 10.1500 -15.1200
6 C8x C 8.8900 -14.4200
7 N5x N 11.4800 -16.9400
8 C8y C 12.2500 -15.8200
9 S2x S 11.4800 -14.7000
10 N1y N 13.6500 -15.8200
11 C1x C 15.9600 -15.6800
12 C1y C 17.1500 -15.0500
13 C1x C 18.4800 -15.6100
14 C1y C 18.7600 -17.0100
15 C1x C 15.6100 -17.0800
16 C1x C 17.9200 -18.1300
17 C1y C 16.5200 -18.1300
18 X F 8.8900 -18.6200
19 C6a C 6.5100 -14.4200
20 O6a O 5.3200 -15.1200
21 O6a O 6.5100 -13.0200
22 O2a O 19.9500 -17.7100
23 C1b C 21.1400 -17.0100
24 C8y C 22.3300 -17.7100
25 C8y C 22.5400 -19.1100
26 N5x N 23.8700 -19.3900
27 O2x O 24.5700 -18.1300
28 C8y C 23.6600 -17.1500
29 C1y C 23.9400 -15.7500
30 C1x C 24.8021 -14.6470
31 C1x C 23.4335 -14.4657
32 C8y C 21.5215 -20.0705
33 C8x C 20.2806 -19.3848
34 C8x C 19.0791 -20.1035
35 C8x C 19.1008 -21.5033
36 C8x C 20.3451 -22.1963
37 C8y C 21.4766 -21.4776
38 O2a O 22.7081 -22.1800
39 C1d C 23.8915 -21.4884
40 X F 25.0920 -22.1732
41 X F 22.6791 -20.7884
42 X F 25.1039 -20.7884
BOND 48
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 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 10 1
12 13 14 1
13 11 15 1
14 14 16 1
15 12 13 1
16 15 17 1
17 11 12 1
18 16 17 1
19 17 10 1 #Up
20 12 10 1 #Up
21 3 18 1
22 1 19 1
23 19 20 1
24 19 21 2
25 14 22 1 #Down
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 2
30 26 27 1
31 27 28 1
32 24 28 2
33 28 29 1
34 29 30 1
35 30 31 1
36 31 29 1
37 25 32 1
38 32 33 2
39 33 34 1
40 34 35 2
41 35 36 1
42 36 37 2
43 32 37 1
44 37 38 1
45 38 39 1
46 39 40 1
47 39 41 1
48 39 42 1
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