KEGG   DRUG: D09357Help
Entry
D09357                      Drug                                   

Name
Mocetinostat dihydrobromide (USAN)
Formula
C23H20N6O. 2HBr
Exact mass
556.0222
Mol weight
558.2684
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Remark
Drug group: 
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
     D09357  Mocetinostat dihydrobromide (USAN)
BRITE hierarchy
Other DBs
CAS: 
944537-89-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        32
            1   C8x C    13.4400  -20.7200
            2   C8x C    13.4400  -19.3200
            3   N5x N    14.6300  -18.6200
            4   C8x C    15.8900  -19.3200
            5   C8y C    15.8900  -20.7200
            6   C8x C    14.6300  -21.4200
            7   C8y C    17.0800  -21.4200
            8   N5x N    18.2700  -20.7200
            9   C8y C    19.5300  -21.4200
            10  N5x N    19.5300  -22.8200
            11  C8x C    18.3400  -23.5200
            12  C8x C    17.0800  -22.8200
            13  N1b N    20.7200  -20.7200
            14  C1b C    21.9100  -21.4200
            15  C8y C    23.1000  -20.7200
            16  C8x C    23.1000  -19.3200
            17  C8x C    24.3600  -18.6200
            18  C8y C    25.5500  -19.3200
            19  C8x C    25.5500  -20.7200
            20  C8x C    24.3600  -21.4200
            21  C5a C    26.7400  -18.6200
            22  N1b N    27.9300  -19.3200
            23  O5a O    26.7400  -17.2200
            24  C8y C    29.1200  -18.6200
            25  C8x C    29.1200  -17.2200
            26  C8x C    30.3800  -16.5200
            27  C8x C    31.5700  -17.2200
            28  C8x C    31.5700  -18.6200
            29  C8y C    30.3800  -19.3200
            30  N1a N    30.3800  -20.7200
            31  X   Br   34.3700  -19.4600
            32  X   Br   34.3700  -20.7200
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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