| Entry |
|
|---|
| Name |
Ricolinostat (USAN/INN) |
|---|
| Formula |
C24H27N5O3
|
|---|
| Exact mass |
433.2114
|
|---|
| Mol weight |
433.50
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antineoplastic, Histone deacetylase inhibitor |
|---|
| Comment |
Treatment of hematologic malignancies
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Histone deacetylase
HDAC6
D10661 Ricolinostat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8x C 9.7300 -16.0300
2 C8x C 9.7300 -17.4300
3 C8x C 10.9424 -18.1300
4 C8x C 12.1549 -17.4300
5 C8y C 12.1549 -16.0300
6 C8x C 10.9424 -15.3300
7 N1c N 13.3673 -15.3300
8 C8y C 13.3673 -13.9300
9 C8y C 14.5797 -16.0300
10 N5x N 14.5797 -17.4299
11 C8x C 15.7922 -18.1299
12 C8y C 17.0046 -17.4299
13 C8x C 17.0046 -16.0300
14 N5x N 15.7922 -15.3300
15 C5a C 18.2170 -18.1299
16 N1b N 19.4294 -17.4299
17 C1b C 20.6419 -18.1299
18 C1b C 21.8543 -17.4299
19 C1b C 23.0667 -18.1299
20 C1b C 24.2792 -17.4299
21 C1b C 25.4916 -18.1299
22 C1b C 26.7040 -17.4299
23 C5a C 27.9165 -18.1299
24 N1b N 29.1289 -17.4299
25 O1b O 30.3414 -18.1299
26 C8x C 14.5818 -13.2288
27 C8x C 14.5818 -11.8288
28 C8x C 13.3693 -11.1288
29 C8x C 12.1549 -11.8300
30 C8x C 12.1549 -13.2300
31 O5a O 18.2170 -19.5299
32 O5a O 27.9165 -19.5299
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 5 7 1
8 7 8 1
9 7 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 12 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 8 26 2
28 26 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 8 30 1
33 15 31 2
34 23 32 2
|
|---|
