KEGG   DRUG: Mocetinostat
Entry
D09641                      Drug                                   
Name
Mocetinostat (USAN/INN)
Formula
C23H20N6O
Exact mass
396.1699
Mol weight
396.4445
Structure
Simcomp
Remark
Chemical structure group: DG01404
Efficacy
Antineoplastic, Histone deacetylase inhibitor
Target
HDAC1 [HSA:3065] [KO:K06067]
HDAC2 [HSA:3066] [KO:K06067]
HDAC3 [HSA:8841] [KO:K11404]
HDAC8 [HSA:55869] [KO:K11405]
HDAC11 [HSA:79885] [KO:K11418]
  Pathway
hsa04110  Cell cycle
hsa04330  Notch signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Histone deacetylase
    HDAC1
     D09641  Mocetinostat (USAN/INN)
    HDAC2
     D09641  Mocetinostat (USAN/INN)
    HDAC3
     D09641  Mocetinostat (USAN/INN)
    HDAC8
     D09641  Mocetinostat (USAN/INN)
    HDAC11
     D09641  Mocetinostat (USAN/INN)
Other DBs
CAS: 726169-73-9
PubChem: 124490381
ChEBI: 197437
LigandBox: D09641
KCF data

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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  All links  
Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (9)   
   KEGG ORTHOLOGY (4)   
   KEGG GENES (5)   
All databases (14)   

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