KEGG   DRUG: D06637Help
Entry
D06637                      Drug                                   

Name
Romidepsin (JAN/USAN/INN);
Istodax (TN)
Product
Formula
C24H36N4O6S2
Exact mass
540.2076
Mol weight
540.6958
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antitumor;
anticancer drug
Remark
ATC code: 
Comment
Depsipeptide
Target
histone deacetylases (HDACs) inhibitor [HSA:3065 3066 8841 9759 10014 10013 51564 55869 9734 83933] [KO:K06067 K11404 K11406 K11407 K11408 K11405 K11409]
  Pathway
hsa04110  Cell cycle
hsa04330  Notch signaling pathway
hsa05200  Pathways in cancer  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX39 Romidepsin
      D06637  Romidepsin (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   histone deacetylase
    Romidepsin
     D06637  Romidepsin (USAN/INN)
Antineoplastics [BR:br08308]
 Miscellaneous agents
  Other antineoplastic agents
   Romidepsin
    D06637  Romidepsin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
128517-07-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        36
            1   S3x S    18.9000  -16.8000
            2   S3x S    18.9000  -18.2000
            3   C1x C    20.6724  -18.9000
            4   C1x C    22.5149  -18.2000
            5   C2x C    22.5149  -16.8000
            6   N1x N    18.9000  -14.0000
            7   C1y C    17.6876  -14.7000
            8   C1x C    17.6876  -16.1000
            9   C2x C    23.7273  -16.1000
            10  C5x C    18.9000  -12.6000
            11  C1y C    20.1124  -11.9000
            12  O5x O    17.6876  -11.9000
            13  N1x N    21.5124  -11.9000
            14  C1c C    20.1124  -10.5000
            15  C1a C    21.3079   -9.8096
            16  C1a C    18.8833   -9.7902
            17  C5x C    22.5373  -12.6700
            18  O5x O    23.7518  -11.9688
            19  C1x C    22.5373  -14.0700
            20  C1y C    23.7518  -14.7712
            21  C5x C    16.2876  -14.7000
            22  N1x N    16.2876  -21.3500
            23  O5x O    15.3090  -13.7212
            24  O7x O    25.5018  -14.7712
            25  C2y C    18.0767  -22.0598
            26  C5x C    19.8407  -21.3646
            27  C2b C    18.0766  -23.4499
            28  C1a C    16.8517  -24.1571
            29  N1x N    21.5838  -22.0477
            30  O5x O    19.8411  -19.9503
            31  C1y C    23.3373  -21.3584
            32  C7x C    25.5056  -22.0445
            33  C1c C    23.3374  -19.9503
            34  C1a C    24.5293  -19.2620
            35  C1a C    22.1045  -19.2382
            36  O6a O    26.3265  -23.1651
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     6   7 1
            6     7   8 1
            7     1   8 1
            8     5   9 2
            9     6  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   11  14 1 #Up
            14   14  15 1
            15   14  16 1
            16   17  18 2
            17   13  17 1
            18   17  19 1
            19   19  20 1
            20   20   9 1
            21    7  21 1
            22   21  22 1
            23   21  23 2
            24   20  24 1
            25   22  25 1
            26   25  26 1
            27   25  27 2
            28   27  28 1
            29   26  29 1
            30   26  30 2
            31   29  31 1
            32   31  32 1
            33   31  33 1 #Up
            34   33  34 1
            35   33  35 1
            36   24  32 1
            37   32  36 2

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