| Entry |
|
|---|
| Name |
Quisinostat hydrochloride (USAN) |
|---|
| Formula |
C21H26N6O2. HCl
|
|---|
| Exact mass |
430.1884
|
|---|
| Mol weight |
430.93
|
|---|
| 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
D10322 Quisinostat hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Histone deacetylase
HDAC
D10322 Quisinostat hydrochloride (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03133 Histone deacetylase inhibitor
DG01407 Quisinostat
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 N5x N 24.2900 -15.1200
2 C8y C 24.2900 -16.5200
3 N5x N 25.5500 -17.2200
4 C8x C 26.7400 -16.5200
5 C8y C 26.7400 -15.1200
6 C8x C 25.5500 -14.4200
7 C5a C 28.0000 -14.4200
8 N1b N 29.1900 -15.1200
9 O1b O 30.3800 -14.4200
10 O5a O 28.0000 -13.0200
11 N1y N 23.1000 -17.2200
12 C1x C 21.9100 -16.5200
13 C1x C 20.6500 -17.2200
14 C1y C 20.6500 -18.6200
15 C1x C 21.9100 -19.3200
16 C1x C 23.1000 -18.6200
17 C1b C 19.4600 -19.3900
18 N1b N 18.2700 -18.6900
19 C1b C 17.0800 -19.3200
20 C8y C 15.8900 -18.6200
21 C8x C 15.8900 -17.2200
22 N4y N 14.5600 -16.8000
23 C8y C 13.7200 -17.9200
24 C8y C 14.4900 -19.0400
25 C8x C 12.3200 -17.9900
26 C8x C 11.6900 -19.2500
27 C8x C 12.5300 -20.4400
28 C8x C 13.9300 -20.3000
29 C1a C 14.1400 -15.4000
30 X Cl 30.0300 -20.3000
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
|
|---|
