| Entry |
|
|---|
| Name |
Mardepodect (USAN/INN) |
|---|
| Formula |
C25H20N4O
|
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| Exact mass |
392.1637
|
|---|
| Mol weight |
392.4525
|
|---|
| Structure |
|
|---|
| Efficacy |
Neuroprotectant, Phosphodiesterase inhibitor |
|---|
| Comment |
Treatment of Huntington's disease
|
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| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE10A
D11171 Mardepodect (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 30
1 N5x N 10.9900 -12.6700
2 C8x C 10.9900 -14.0700
3 C8x C 12.1800 -14.7700
4 C8y C 13.4400 -14.0700
5 C8x C 13.4400 -12.6700
6 C8x C 12.1800 -11.9700
7 C8y C 14.6300 -14.7700
8 C8y C 14.6300 -16.1700
9 N5x N 15.9600 -16.5900
10 N4y N 16.8000 -15.4700
11 C8x C 15.9600 -14.3500
12 C8x C 10.9900 -16.8700
13 C8y C 10.9900 -18.2700
14 C8x C 12.1800 -18.9700
15 C8x C 13.4400 -18.2700
16 C8y C 13.4400 -16.8700
17 C8x C 12.1800 -16.1700
18 O2a O 9.7747 -18.9651
19 C1b C 8.5863 -18.2723
20 C8y C 7.3899 -18.9565
21 N5x N 6.2087 -18.2681
22 C8y C 4.9934 -18.9631
23 C8y C 4.9876 -20.3631
24 C8x C 6.1688 -21.0515
25 C8x C 7.4541 -20.3565
26 C8x C 3.7838 -18.2581
27 C8x C 2.5685 -18.9531
28 C8x C 2.5628 -20.3531
29 C8x C 3.7723 -21.0581
30 C1a C 18.2000 -15.4700
BOND 34
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 1
9 8 9 2
10 9 10 1
11 10 11 1
12 7 11 2
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 12 17 1
19 16 8 1
20 13 18 1
21 18 19 1
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 20 25 1
29 22 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 23 29 1
34 10 30 1
|
|---|
