| Entry |
|
|---|
| Name |
Venglustat malate (JAN/USAN) |
|---|
| Formula |
C20H24FN3O2S. C4H6O5
|
|---|
| Exact mass |
523.1789
|
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| Mol weight |
523.58
|
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| Structure |
|
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| Remark |
|
|---|
| Efficacy |
Glucosylceramide synthase inhibitor |
|---|
| Comment |
Treatment of Fabry disease (FD), Gaucher disease type 3 (GD3), Glucocerebrosidase gene-associated Parkinson disease (GBA-PD) and Autosomal dominant polycystic kidney disease (ADPKD)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 36
1 C1x C 20.1807 -17.9567
2 C1x C 20.1807 -16.5482
3 C1y C 18.9835 -15.8440
4 C1y C 17.7158 -16.5482
5 C1x C 17.7158 -17.9567
6 N1y N 18.9835 -18.6610
7 O7a O 16.4482 -15.8440
8 C7a C 15.2510 -16.5482
9 N1b N 14.0537 -15.8440
10 O6a O 15.2510 -17.9567
11 C1d C 12.8565 -16.5482
12 C8y C 11.6593 -15.8440
13 C1a C 12.1522 -17.7454
14 C1a C 13.5608 -17.7454
15 C8x C 11.1663 -14.5059
16 S2x S 9.7578 -14.5059
17 C8y C 9.3352 -15.8440
18 N5x N 10.5325 -16.6891
19 C8y C 8.0676 -16.5482
20 C8x C 6.8704 -15.8440
21 C8x C 5.6027 -16.5482
22 C8y C 5.6027 -17.9567
23 C8x C 6.7999 -18.6610
24 C8x C 8.0676 -17.9567
25 X F 4.4055 -18.6610
26 C1x C 18.6314 -17.3229
27 C1x C 19.6877 -17.0412
28 O6a O 22.1200 -16.5900
29 C6a C 23.3324 -17.2900
30 C1c C 24.5279 -16.5996
31 O6a O 23.3325 -18.6898
32 C1b C 25.7153 -17.2851
33 C6a C 26.9065 -16.5971
34 O6a O 28.0960 -17.2838
35 O6a O 26.9065 -15.1903
36 O1a O 24.5280 -15.1903
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1 #Up
8 7 8 1
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 1
13 11 13 1
14 11 14 1
15 12 15 2
16 15 16 1
17 16 17 1
18 17 18 2
19 12 18 1
20 17 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 22 25 1
28 6 26 1
29 3 27 1
30 27 26 1
31 28 29 1
32 29 30 1
33 29 31 2
34 30 32 1
35 32 33 1
36 33 34 1
37 33 35 2
38 30 36 1 #Up
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|---|
