KEGG   DRUG: D09641Help
Entry
D09641                      Drug                                   

Name
Mocetinostat (USAN/INN)
Formula
C23H20N6O
Exact mass
396.1699
Mol weight
396.4445
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Target
histone deacetylase 1 (HDAC1) inhibitor [HSA:3065] [KO:K06067]
  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)
    Mocetinostat
     D09641  Mocetinostat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
726169-73-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        30
            1   C8x C    13.2300  -26.6000
            2   C8x C    13.2300  -25.2000
            3   N5x N    14.4200  -24.5000
            4   C8x C    15.6800  -25.2000
            5   C8y C    15.6800  -26.6000
            6   C8x C    14.4200  -27.3000
            7   C8y C    16.8700  -27.3000
            8   N5x N    18.0600  -26.6000
            9   C8y C    19.3200  -27.3000
            10  N5x N    19.3200  -28.7000
            11  C8x C    18.1300  -29.4000
            12  C8x C    16.8700  -28.7000
            13  N1b N    20.5100  -26.6000
            14  C1b C    21.7000  -27.3000
            15  C8y C    22.8900  -26.6000
            16  C8x C    22.8900  -25.2000
            17  C8x C    24.1500  -24.5000
            18  C8y C    25.3400  -25.2000
            19  C8x C    25.3400  -26.6000
            20  C8x C    24.1500  -27.3000
            21  C5a C    26.5300  -24.5000
            22  N1b N    27.7200  -25.2000
            23  O5a O    26.5300  -23.1000
            24  C8y C    28.9100  -24.5000
            25  C8x C    28.9100  -23.1000
            26  C8x C    30.1700  -22.4000
            27  C8x C    31.3600  -23.1000
            28  C8x C    31.3600  -24.5000
            29  C8y C    30.1700  -25.2000
            30  N1a N    30.1700  -26.6000
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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