KEGG   DRUG: Tazemetostat
Entry
D11444                      Drug                                   

Name
Tazemetostat (USAN/INN)
Formula
C34H44N4O4
Exact mass
572.3363
Mol weight
572.7376
Structure
Simcomp
Remark
Chemical structure group: DG03020
Product (DG03020): D11485<US>
Efficacy
Antineoplastic, histone methyltransferase inhibitor
Target
EZH2 [HSA:2146] [KO:K11430]
  Pathway
hsa00310  Lysine degradation
hsa05206  MicroRNAs in cancer
Metabolism
Transporter: ABCB1 [HSA:5243]
Interaction
Transporter inhibition: SLC47A1 [HSA:55244], SLC47A2 [HSA:146802]
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    EZH2
     D11444  Tazemetostat (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D11444
Other DBs
CAS: 1403254-99-8
PubChem: 384585421
ChEMBL: CHEMBL3414621
LinkDB
KCF data

ATOM        42
            1   C1x C     6.7900  -15.2600
            2   O2x O     6.7900  -16.6600
            3   C1x C     8.0024  -17.3600
            4   C1x C     9.2149  -16.6600
            5   N1y N     9.2149  -15.2600
            6   C1x C     8.0024  -14.5600
            7   C1b C    10.4460  -14.5490
            8   C8y C    11.6512  -15.2447
            9   C8x C    11.6516  -16.6596
            10  C8x C    12.8642  -17.3593
            11  C8y C    14.0765  -16.6589
            12  C8x C    14.0760  -15.2439
            13  C8x C    12.8634  -14.5443
            14  C8y C    15.2847  -17.3560
            15  C8x C    15.2852  -18.7598
            16  C8y C    16.4979  -19.4594
            17  C8y C    17.7101  -18.7590
            18  C8y C    17.7096  -17.3552
            19  C8x C    16.4969  -16.6556
            20  C5a C    18.9200  -16.6558
            21  N1b N    20.1193  -17.3479
            22  O5a O    18.9196  -15.2601
            23  C1b C    21.3043  -16.6633
            24  C8y C    22.4972  -17.3517
            25  C8y C    22.4976  -18.7597
            26  N4x N    23.7103  -19.4594
            27  C8y C    24.9225  -18.7590
            28  C8x C    24.9221  -17.3510
            29  C8y C    23.7094  -16.6513
            30  C1a C    23.7091  -15.2602
            31  C1a C    26.1337  -19.4578
            32  O5x O    21.2647  -19.4723
            33  C1a C    18.9231  -19.4588
            34  N1c N    16.4983  -20.8598
            35  C1y C    17.7272  -21.5690
            36  C1b C    15.3024  -21.5509
            37  C1x C    17.7274  -22.9599
            38  C1x C    18.9400  -23.6597
            39  O2x O    20.1523  -22.9595
            40  C1x C    20.1521  -21.5686
            41  C1x C    18.9396  -20.8688
            42  C1a C    14.1144  -20.8655
BOND        46
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   18  20 1
            23   20  21 1
            24   20  22 2
            25   21  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   24  29 2
            33   29  30 1
            34   27  31 1
            35   25  32 2
            36   17  33 1
            37   16  34 1
            38   34  35 1
            39   34  36 1
            40   35  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   40  41 1
            45   35  41 1
            46   36  42 1

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