KEGG   DRUG: Trabectedin
Entry
D06199                      Drug                                   
Name
Trabectedin (JAN/USAN/INN);
Yondelis (TN)
Product
YONDELIS (Janssen Products)
Formula
C39H43N3O11S
Exact mass
761.2618
Mol weight
761.84
Structure
Simcomp
Source
Ecteinascidia turbinata [TAX:284476]
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C16875
Therapeutic category: 4291
ATC code: L01CX01
Product: D06199<JP/US>
Efficacy
Antineoplastic, Alkylating agent
  Disease
Liposarcoma [DS:H02427]
Leiomyosarcoma [DS:H02427]
Comment
Tetrahydroisoquinoline
Target
DNA
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
    L01CX Other plant alkaloids and natural products
     L01CX01 Trabectedin
      D06199  Trabectedin (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Alkylating Agents
   Alkylating Agents, Other
    Trabectedin
     D06199  Trabectedin (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D06199  Trabectedin (JAN/USAN/INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D06199  Trabectedin
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D06199
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D06199
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D06199
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D06199
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D06199
Other DBs
CAS: 114899-77-3
PubChem: 47207857
ChEBI: 84050
LigandBox: D06199
NIKKAJI: J1.013.169C
LinkDB
KCF data

ATOM        54
            1   C1z C    35.2722  -12.9001
            2   C8y C    36.5054  -13.5571
            3   C8y C    37.6933  -12.8163
            4   C1x C    37.6457  -11.4171
            5   C1x C    36.4125  -10.7600
            6   N1x N    35.2946  -11.5009
            7   C1y C    24.2020  -16.2550
            8   C1y C    25.6031  -16.2550
            9   N1y N    26.5958  -17.2405
            10  C1y C    26.5958  -18.6416
            11  C1y C    25.6031  -19.6343
            12  C8y C    24.2020  -19.6343
            13  C8y C    23.2163  -18.6416
            14  C1x C    23.2163  -17.2405
            15  C8x C    21.8627  -18.9992
            16  C8y C    21.4956  -20.3502
            17  C8y C    22.4813  -21.3429
            18  C8y C    23.8349  -20.9853
            19  C1y C    27.8082  -19.3416
            20  C8y C    29.0206  -18.6416
            21  C8y C    29.0206  -17.2405
            22  C1y C    27.8082  -16.5405
            23  C8y C    30.2331  -19.3416
            24  C8y C    31.4455  -18.6416
            25  C8y C    31.4455  -17.2405
            26  C8y C    30.2331  -16.5405
            27  O2x O    32.4859  -16.3037
            28  C1x C    31.9165  -15.0247
            29  O2x O    30.5242  -15.1711
            30  O1a O    26.1441  -14.9418
            31  N1y N    25.6119  -17.5249
            32  C1a C    24.1895  -17.5249
            33  O1a O    24.8108  -21.9687
            34  O2a O    22.1117  -22.7034
            35  C1a C    20.1320  -20.7103
            36  C1a C    20.7718  -23.0572
            37  C1x C    27.8085  -15.1201
            38  S2x S    27.8082  -23.3316
            39  O7x O    29.0072  -14.4282
            40  C7x C    28.9593  -13.0202
            41  O6a O    27.7400  -12.3701
            42  C1a C    32.6370  -19.3293
            43  C1x C    35.2722  -23.3301
            44  O7a O    30.2332  -20.7200
            45  C7a C    31.4508  -21.4229
            46  C8x C    36.5530  -14.9563
            47  C8y C    37.7885  -15.6147
            48  C8y C    38.9064  -14.8738
            49  C8x C    38.9288  -13.4746
            50  O2a O    37.7853  -17.0089
            51  C1a C    39.1119  -17.6564
            52  O1a O    40.1304  -15.5436
            53  C1a C    32.6487  -20.7310
            54  O6a O    31.4509  -22.8198
BOND        62
            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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14   7 1
            15   13  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   12  18 2
            20   10  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24    9  22 1
            25   20  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   21  26 2
            30   25  27 1
            31   27  28 1
            32   28  29 1
            33   26  29 1
            34    8  30 1 #Down
            35    7  31 1 #Up
            36   11  31 1 #Up
            37   31  32 1
            38   18  33 1
            39   17  34 1
            40   16  35 1
            41   34  36 1
            42   22  37 1 #Up
            43   19  38 1 #Up
            44   37  39 1
            45   39  40 1
            46   40  41 2
            47   24  42 1
            48    1  40 1 #Down
            49    1  43 1 #Up
            50   38  43 1
            51   23  44 1
            52   44  45 1
            53    2  46 2
            54   46  47 1
            55   47  48 2
            56   48  49 1
            57    3  49 2
            58   47  50 1
            59   50  51 1
            60   48  52 1
            61   45  53 1
            62   45  54 2

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