KEGG   DRUG: D09338Help
Entry
D09338                      Drug                                   
Name
Entinostat (USAN/INN)
Formula
C21H20N4O3
Exact mass
376.1535
Mol weight
376.4085
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Comment
Histone deacetylase inhibitors (HDACi)
Target
histone deacetylase 1 (HDAC1) inhibitor [HSA:3065] [KO:K06067];
histone deacetylase 3 (HDAC3) inhibitor [HSA:8841] [KO:K11404]
  Pathway
hsa04110  Cell cycle
hsa04330  Notch signaling pathway
hsa05200  Pathways in cancer  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   histone deacetylase 1 (HDAC1) [HSA:3065] [KO:K06067]
    Entinostat
     D09338  Entinostat (USAN/INN)
   histone deacetylase 3 (HDAC3) [HSA:8841] [KO:K11404]
    Entinostat
     D09338  Entinostat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
209783-80-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        28
            1   O7a O    17.5700  -22.1900
            2   C7a C    18.7824  -22.8900
            3   C1b C    16.3576  -22.8900
            4   N1b N    19.9779  -22.1996
            5   O6a O    18.7825  -24.2898
            6   C8y C    15.1621  -22.1996
            7   C8x C    15.1620  -20.7903
            8   N5x N    13.9496  -20.0903
            9   C8x C    12.7372  -20.7903
            10  C8x C    12.7372  -22.1997
            11  C8x C    13.9496  -22.8996
            12  C1b C    21.1653  -22.8851
            13  C8y C    22.3565  -22.1971
            14  C8x C    23.5460  -22.8838
            15  C8x C    24.7584  -22.1838
            16  C8y C    24.7584  -20.7838
            17  C8x C    23.5689  -20.0971
            18  C8x C    22.3565  -20.7971
            19  C5a C    25.9841  -20.0758
            20  N1b N    27.1921  -20.7730
            21  O5a O    25.9838  -18.6901
            22  C8y C    28.3730  -20.0910
            23  C8y C    29.5677  -20.7807
            24  C8x C    30.7802  -20.0807
            25  C8x C    30.7801  -18.6807
            26  C8x C    29.5854  -17.9910
            27  C8x C    28.3730  -18.6910
            28  N1a N    29.5680  -22.1897
BOND        30
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    6  11 1
            12    4  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   16  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   23  28 1

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