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
761.8372
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
   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
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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Ontology (9)   
   KEGG BRITE (9)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (17)   

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