KEGG   DRUG: Valemetostat
Entry
D11551                      Drug                                   

Name
Valemetostat
Formula
C26H34ClN3O4
Exact mass
487.2238
Mol weight
488.0189
Structure
Remark
Chemical structure group: DG03075
Efficacy
Antineoplastic, histone methyltransferase inhibitor
Target
EZH [HSA:2145 2146] [KO:K17451 K11430]
  Pathway
hsa00310  Lysine degradation
hsa05206  MicroRNAs in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    EZH
     D11551  Valemetostat
Other DBs
CAS: 1809336-39-7
PubChem: 384585527
LinkDB
KCF data

ATOM        34
            1   C8x C    27.0900  -15.4700
            2   C8y C    27.0900  -16.8700
            3   N4x N    25.9000  -17.5700
            4   C8y C    24.6400  -16.8700
            5   C8y C    24.6400  -15.4700
            6   C8y C    25.9000  -14.7700
            7   C1b C    23.4500  -14.7700
            8   N1b N    22.2600  -15.4700
            9   C5a C    21.0700  -14.7700
            10  C8y C    19.8800  -15.4700
            11  O5a O    21.0700  -13.3700
            12  C8x C    19.8800  -16.8700
            13  C8y C    18.6200  -17.5700
            14  C8y C    17.4300  -16.8700
            15  C8y C    17.4300  -15.4700
            16  C8y C    18.6200  -14.7700
            17  C1a C    18.6200  -13.3700
            18  X   Cl   18.6200  -18.9700
            19  O2x O    16.1000  -17.2900
            20  C1z C    15.2600  -16.1700
            21  O2x O    16.1000  -14.9800
            22  C1y C    13.8600  -16.1700
            23  C1a C    14.6300  -17.4300
            24  C1x C    13.1600  -17.3600
            25  C1x C    11.7600  -17.3600
            26  C1y C    11.0600  -16.1700
            27  C1x C    11.7600  -14.9100
            28  C1x C    13.1600  -14.9100
            29  N1c N     9.6600  -16.1700
            30  C1a C     8.9600  -17.3600
            31  C1a C     8.9600  -14.9800
            32  C1a C    25.9000  -13.3700
            33  O5x O    23.4500  -17.5700
            34  C1a C    28.2800  -17.5700
BOND        37
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   10  16 1
            18   16  17 1
            19   13  18 1
            20   14  19 1
            21   19  20 1
            22   20  21 1
            23   15  21 1
            24   20  22 1
            25   20  23 1 #Up
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   22  28 1
            32   26  29 1 #Down
            33   29  30 1
            34   29  31 1
            35    6  32 1
            36    4  33 2
            37    2  34 1

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