Entry |
|
Name |
Tacedinaline (USAN/INN) |
Formula |
C15H15N3O2
|
Exact mass |
269.1164
|
Mol weight |
269.2985
|
Structure |
|
Simcomp |
|
Efficacy |
Antineoplastic, Histone deacetylase inhibitor |
Comment |
Combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers
|
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Histone deacetylase
HDAC1
D05988 Tacedinaline (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 20
1 C8x C 13.8600 -15.8200
2 C8y C 13.8600 -17.2200
3 C8x C 15.0724 -17.9200
4 C8x C 16.2849 -17.2200
5 C8y C 16.2849 -15.8200
6 C8x C 15.0724 -15.1200
7 N1b N 12.6476 -17.9200
8 C5a C 11.4521 -17.2296
9 C1a C 10.2647 -17.9151
10 O5a O 11.4520 -15.8203
11 C5a C 17.5160 -15.1090
12 N1b N 18.7212 -15.8047
13 O5a O 17.5157 -13.7201
14 C8y C 19.9035 -15.1219
15 C8y C 21.0975 -15.8112
16 C8x C 22.3099 -15.1112
17 C8x C 22.3099 -13.7112
18 C8x C 21.1160 -13.0219
19 C8x C 19.9035 -13.7219
20 N1a N 21.0976 -17.2197
BOND 21
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 2 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 5 11 1
12 11 12 1
13 11 13 2
14 12 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 15 20 1
|