| Entry |
|
|---|
| Name |
Quisinostat (USAN/INN) |
|---|
| Formula |
C21H26N6O2
|
|---|
| Exact mass |
394.2117
|
|---|
| Mol weight |
394.47
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG03133 Histone deacetylase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Histone deacetylase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03133 Histone deacetylase inhibitor
DG01407 Quisinostat
D10321 Quisinostat
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Histone deacetylase
HDAC
D10321 Quisinostat (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG03133 Histone deacetylase inhibitor
DG01407 Quisinostat
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 N5x N 15.3300 -15.3300
2 C8y C 15.3300 -16.7300
3 N5x N 16.5424 -17.4300
4 C8x C 17.7549 -16.7300
5 C8y C 17.7549 -15.3300
6 C8x C 16.5424 -14.6300
7 C5a C 18.9860 -14.6190
8 N1b N 20.1912 -15.3147
9 O1b O 21.3735 -14.6319
10 O5a O 18.9857 -13.2301
11 N1y N 14.1176 -17.4300
12 C1x C 12.9221 -16.7396
13 C1x C 11.7096 -17.4395
14 C1y C 11.7094 -18.8395
15 C1x C 12.9049 -19.5299
16 C1x C 14.1174 -18.8300
17 C1b C 10.4866 -19.5454
18 N1b N 9.2777 -18.8474
19 C1b C 8.0970 -19.5290
20 C8y C 6.9024 -18.8391
21 C8x C 6.9335 -17.4300
22 N4y N 5.6067 -16.9652
23 C8y C 4.7546 -18.0834
24 C8y C 5.5548 -19.2393
25 C8x C 3.3593 -18.1980
26 C8x C 2.7609 -19.4637
27 C8x C 3.5611 -20.6196
28 C8x C 4.9564 -20.5050
29 C1a C 5.1970 -15.5993
BOND 32
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 5 7 1
8 7 8 1
9 8 9 1
10 7 10 2
11 2 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 11 16 1
18 14 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 1
25 23 24 1
26 20 24 1
27 23 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 24 28 2
32 22 29 1
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