| Entry |
|
|---|
| Name |
Abexinostat hydrochloride (USAN) |
|---|
| Formula |
C21H23N3O5. HCl
|
|---|
| Exact mass |
433.1404
|
|---|
| Mol weight |
433.88
|
|---|
| 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
DG01402 Abexinostat
D10084 Abexinostat hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Histone deacetylase
HDAC
D10084 Abexinostat hydrochloride (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03133 Histone deacetylase inhibitor
DG01402 Abexinostat
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 20.2300 -20.7200
2 C5a C 21.4200 -21.4200
3 N1b N 22.6800 -20.7200
4 O5a O 21.4200 -22.8200
5 C1b C 23.8700 -21.4200
6 C1b C 25.0600 -20.7200
7 O2a O 26.2500 -21.4200
8 C8y C 27.4400 -20.7200
9 C8x C 28.6300 -21.4200
10 C8x C 29.8200 -20.7200
11 C8y C 29.8200 -19.3200
12 C8x C 28.6300 -18.6200
13 C8x C 27.4400 -19.3200
14 C5a C 31.0800 -18.6200
15 N1b N 32.2700 -19.3200
16 O5a O 31.0800 -17.2200
17 O2x O 19.8100 -19.3900
18 C8y C 18.4100 -19.3900
19 C8y C 17.9200 -20.7200
20 C8y C 19.1100 -21.5600
21 C8x C 17.4300 -18.3400
22 C8x C 16.1000 -18.6200
23 C8x C 15.6100 -19.9500
24 C8x C 16.5900 -21.0000
25 O1b O 33.4600 -18.6200
26 C1b C 19.1302 -22.9599
27 N1c N 17.9131 -23.6862
28 C1a C 16.6849 -23.0008
29 C1a C 17.9332 -25.0599
30 X Cl 29.8200 -24.9200
BOND 31
1 1 2 1
2 2 3 1
3 2 4 2
4 3 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 8 13 1
14 11 14 1
15 14 15 1
16 14 16 2
17 1 17 1
18 17 18 1
19 18 19 2
20 19 20 1
21 1 20 2
22 18 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 15 25 1
28 20 26 1
29 26 27 1
30 27 28 1
31 27 29 1
|
|---|
