| Entry |
|
|---|
| Name |
Abexinostat (USAN) |
|---|
| Formula |
C21H23N3O5
|
|---|
| Exact mass |
397.1638
|
|---|
| Mol weight |
397.42
|
|---|
| 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
D10060 Abexinostat
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Histone deacetylase
HDAC
D10060 Abexinostat (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03133 Histone deacetylase inhibitor
DG01402 Abexinostat
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C8y C 11.9700 -15.9600
2 C5a C 13.1824 -16.6600
3 N1b N 14.3779 -15.9696
4 O5a O 13.1825 -18.0598
5 C1b C 15.5653 -16.6551
6 C1b C 16.7565 -15.9671
7 O2a O 17.9460 -16.6538
8 C8y C 19.1361 -15.9665
9 C8x C 20.3262 -16.6535
10 C8x C 21.5386 -15.9534
11 C8y C 21.5385 -14.5534
12 C8x C 20.3485 -13.8664
13 C8x C 19.1361 -14.5665
14 C5a C 22.7640 -13.8456
15 N1b N 23.9721 -14.5429
16 O5a O 22.7637 -12.4601
17 O2x O 11.5442 -14.6263
18 C8y C 10.1442 -14.6192
19 C8y C 9.7048 -15.9484
20 C8y C 10.8332 -16.7771
21 C1b C 10.8256 -18.1998
22 N1c N 9.6279 -18.8830
23 C1a C 8.4505 -18.1950
24 C1a C 9.6902 -20.2994
25 C8x C 9.2128 -13.5740
26 C8x C 7.8419 -13.8580
27 C8x C 7.4024 -15.1873
28 C8x C 8.3339 -16.2325
29 O1b O 25.1530 -13.8610
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 20 21 1
23 21 22 1
24 22 23 1
25 22 24 1
26 18 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 19 28 1
31 15 29 1
|
|---|