| Entry |
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| Name |
Mocetinostat dihydrobromide (USAN) |
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| Formula |
C23H20N6O. 2HBr
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| Exact mass |
556.0222
|
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| Mol weight |
558.27
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| Structure |
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| Simcomp |
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| Remark |
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| Efficacy |
Antineoplastic, Histone deacetylase inhibitor |
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| Target |
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| Pathway |
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| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Histone deacetylase
HDAC1
D09357 Mocetinostat dihydrobromide (USAN)
HDAC2
D09357 Mocetinostat dihydrobromide (USAN)
HDAC3
D09357 Mocetinostat dihydrobromide (USAN)
HDAC8
D09357 Mocetinostat dihydrobromide (USAN)
HDAC11
D09357 Mocetinostat dihydrobromide (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 32
1 C8x C 13.4400 -20.7200
2 C8x C 13.4400 -19.3200
3 N5x N 14.6300 -18.6200
4 C8x C 15.8900 -19.3200
5 C8y C 15.8900 -20.7200
6 C8x C 14.6300 -21.4200
7 C8y C 17.0800 -21.4200
8 N5x N 18.2700 -20.7200
9 C8y C 19.5300 -21.4200
10 N5x N 19.5300 -22.8200
11 C8x C 18.3400 -23.5200
12 C8x C 17.0800 -22.8200
13 N1b N 20.7200 -20.7200
14 C1b C 21.9100 -21.4200
15 C8y C 23.1000 -20.7200
16 C8x C 23.1000 -19.3200
17 C8x C 24.3600 -18.6200
18 C8y C 25.5500 -19.3200
19 C8x C 25.5500 -20.7200
20 C8x C 24.3600 -21.4200
21 C5a C 26.7400 -18.6200
22 N1b N 27.9300 -19.3200
23 O5a O 26.7400 -17.2200
24 C8y C 29.1200 -18.6200
25 C8x C 29.1200 -17.2200
26 C8x C 30.3800 -16.5200
27 C8x C 31.5700 -17.2200
28 C8x C 31.5700 -18.6200
29 C8y C 30.3800 -19.3200
30 N1a N 30.3800 -20.7200
31 X Br 34.3700 -19.4600
32 X Br 34.3700 -20.7200
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 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 9 13 1
15 13 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 18 21 1
24 21 22 1
25 21 23 2
26 22 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 24 29 1
33 29 30 1
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