| Entry |
|
|---|
| Name |
Nanatinostat (USAN) |
|---|
| Formula |
C20H19FN6O2
|
|---|
| Exact mass |
394.1554
|
|---|
| Mol weight |
394.4023
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Antinepolastic, Histone deacetylase inhibitor |
|---|
| Comment |
Treatment of cancer and inflammatory diseases
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Histone deacetylase
HDAC1
D11442 Nanatinostat (USAN)
HDAC2
D11442 Nanatinostat (USAN)
HDAC3
D11442 Nanatinostat (USAN)
HDAC8
D11442 Nanatinostat (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 7.9800 -17.2200
2 C8y C 7.9800 -18.6200
3 C8x C 9.1700 -19.3200
4 C8y C 10.4300 -18.6200
5 C8y C 10.4300 -17.2200
6 C8x C 9.1700 -16.5200
7 C8x C 11.6200 -19.3200
8 C8x C 12.8100 -18.6200
9 C8y C 12.8100 -17.2200
10 N5x N 11.6200 -16.5200
11 X F 6.7900 -19.3200
12 C1b C 14.0000 -16.5200
13 N1b N 15.1900 -17.2200
14 C1y C 16.3800 -16.5200
15 C1y C 17.7800 -16.5200
16 C1y C 17.0800 -15.3300
17 C1x C 19.1281 -16.2220
18 N1y N 19.2612 -14.8478
19 C1x C 17.9955 -14.2965
20 C8y C 20.4629 -14.1409
21 N5x N 21.6632 -14.8210
22 C8x C 22.8700 -14.1113
23 C8y C 22.8587 -12.7113
24 C8x C 21.6584 -12.0312
25 N5x N 20.4517 -12.7409
26 C5a C 24.0755 -11.9953
27 N1b N 25.2862 -12.6808
28 O5a O 24.0635 -10.5701
29 O1b O 26.4852 -11.9748
BOND 33
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 2 11 1
13 9 12 1
14 12 13 1
15 14 13 1 #Down
16 14 15 1
17 15 16 1
18 16 14 1
19 15 17 1
20 17 18 1
21 18 19 1
22 16 19 1
23 18 20 1
24 20 21 2
25 21 22 1
26 22 23 2
27 23 24 1
28 24 25 2
29 20 25 1
30 23 26 1
31 26 27 1
32 26 28 2
33 27 29 1
|
|---|
