KEGG   DRUG: TucidinostatHelp
Entry
D10993                      Drug                                   

Name
Tucidinostat (JAN/USAN/INN);
Epidaza (TN)
Formula
C22H19FN4O2
Exact mass
390.1492
Mol weight
390.4103
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antineoplastic, Histone deacetylase inhibitor
Target
CD244 [HSA:51744] [KO:K06582]
CD8 [HSA:925 926] [KO:K06458 K06459]
HDAC1 [HSA:3065] [KO:K06067]
HDAC2 [HSA:3066] [KO:K06067]
HDAC3 [HSA:8841] [KO:K11404]
HDAC10 [HSA:83933] [KO:K18671]
  Pathway
hsa04110  Cell cycle
hsa04330  Notch signaling pathway
hsa04640  Hematopoietic cell lineage
hsa04650  Natural killer cell mediated cytotoxicity
hsa04660  T cell receptor signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Cell surface molecules and ligands
  Other cell surface molecules
   CD molecules
    CD8
     D10993  Tucidinostat (JAN/USAN/INN)
    CD244
     D10993  Tucidinostat (JAN/USAN/INN)
 Enzymes
  Hydrolases (EC3)
   Histone deacetylase
    HDAC1
     D10993  Tucidinostat (JAN/USAN/INN)
    HDAC2
     D10993  Tucidinostat (JAN/USAN/INN)
    HDAC3
     D10993  Tucidinostat (JAN/USAN/INN)
    HDAC10
     D10993  Tucidinostat (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1616493-44-7
PubChem: 342581833
ChEMBL: CHEMBL3621988
KCF data Show

ATOM        29
            1   C8y C    10.0100  -20.5800
            2   C2b C    11.2224  -21.2800
            3   C2b C    12.4349  -20.5800
            4   C5a C    13.6473  -21.2800
            5   N1b N    14.8597  -20.5800
            6   C1b C    16.0722  -21.2800
            7   C8y C    17.2846  -20.5800
            8   C8x C    10.0100  -19.1800
            9   N5x N     8.7976  -18.4800
            10  C8x C     7.5851  -19.1800
            11  C8x C     7.5851  -20.5800
            12  C8x C     8.7976  -21.2800
            13  C8x C    18.5011  -21.2823
            14  C8x C    19.7135  -20.5823
            15  C8y C    19.7135  -19.1823
            16  C8x C    18.4971  -18.4800
            17  C8x C    17.2846  -19.1800
            18  O5a O    13.6473  -22.6800
            19  C5a C    20.9467  -18.4702
            20  N1b N    22.1508  -19.1653
            21  O5a O    20.9465  -17.0801
            22  C8y C    23.3337  -18.4822
            23  C8y C    24.5274  -19.1714
            24  C8x C    25.7398  -18.4714
            25  C8y C    25.7398  -17.0714
            26  C8x C    24.5462  -16.3822
            27  C8x C    23.3337  -17.0822
            28  X   F    26.9635  -16.3648
            29  N1a N    24.5275  -20.5797
BOND        31
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     1   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    1  12 1
            13    7  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18    7  17 1
            19    4  18 2
            20   15  19 1
            21   19  20 1
            22   19  21 2
            23   20  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   25  28 1
            31   23  29 1

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