KEGG   DRUG: Tacedinaline
Entry
D05988                      Drug                                   
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
HDAC1 [HSA:3065] [KO:K06067]
  Pathway
hsa04110  Cell cycle
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Histone deacetylase
    HDAC1
     D05988  Tacedinaline (USAN/INN)
Other DBs
CAS: 112522-64-2
PubChem: 47207646
ChEBI: 90195
LigandBox: D05988
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

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