KEGG   DRUG: D08900Help
Entry
D08900                      Drug                                   

Name
Ridaforolimus (JAN/USAN);
Deforolimus
Formula
C53H84NO14P
Exact mass
989.5629
Mol weight
990.2061
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Remark
Same as: 
ATC code: 
Target
mammalian target of rapamycin (mTOR) inhibitor [HSA:2475] [KO:K07203]
  Pathway
hsa04150  mTOR signaling pathway
hsa05200  Pathways in cancer  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE19 Ridaforolimus
      D08900  Ridaforolimus (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: Others
   PIKK family
    mammalian target of rapamycin (mTOR) [HSA:2475] [KO:K07203]
     Ridaforolimus
      D08900  Ridaforolimus (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
572924-54-0
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        69
            1   N1y N    13.1021  -11.6913
            2   C1y C    14.2922  -10.9912
            3   C5a C    13.1021  -13.0915
            4   C1x C    11.8418  -10.9912
            5   C7a C    15.4823  -11.6913
            6   C1x C    14.2922   -9.5910
            7   C5a C    11.8418  -13.7916
            8   O5a O    14.2922  -13.7916
            9   C1x C    11.8418   -9.5910
            10  O7a O    16.6725  -10.9912
            11  O6a O    15.4823  -12.8114
            12  C1x C    13.1021   -8.8209
            13  C1z C    11.8418  -15.1918
            14  O5a O    10.6517  -13.0215
            15  C1c C    17.9326  -11.6913
            16  O2x O    13.0321  -15.8919
            17  C1y C    10.5817  -15.8919
            18  C1c C    19.1228  -10.9912
            19  C1b C    17.9326  -13.0915
            20  C1y C    13.0321  -17.2921
            21  C1x C    10.5817  -17.2220
            22  C1a C     9.3916  -15.1218
            23  C1b C    20.3830  -11.6913
            24  C1a C    19.1228   -9.5910
            25  C5a C    19.1228  -13.7916
            26  C1b C    14.2222  -17.9922
            27  C1x C    11.8418  -17.9922
            28  C1y C    21.5731  -10.9912
            29  C1c C    19.1228  -15.1918
            30  O5a O    20.3830  -13.0215
            31  C1c C    14.2222  -19.3922
            32  C1x C    22.7632  -11.6913
            33  C1x C    21.5731   -9.5910
            34  C2b C    20.3830  -15.8919
            35  C1a C    17.9326  -15.8919
            36  C2c C    15.4123  -20.0923
            37  O2a O    13.0321  -20.0923
            38  C1y C    23.8834  -10.9912
            39  C1x C    22.7632   -8.8909
            40  C2c C    20.3830  -17.2220
            41  C2b C    15.4123  -21.4925
            42  C1a C    16.6725  -19.3922
            43  C1a C    13.0321  -21.4925
            44  C1y C    23.8834   -9.5910
            45  O2a O    25.1436  -11.6913
            46  C1c C    21.5731  -17.9221
            47  C1a C    19.1228  -17.9221
            48  C2b C    16.6024  -22.1926
            49  O2b O    25.1436   -8.8209
            50  C1c C    21.5731  -19.3223
            51  O1a O    22.7632  -17.2220
            52  C2b C    16.6024  -23.5928
            53  C5a C    22.7632  -20.0223
            54  O2a O    20.3130  -20.0223
            55  C2b C    17.8627  -24.2929
            56  C1c C    22.7632  -21.4225
            57  O5a O    23.8834  -19.3223
            58  C1a C    20.3130  -21.4225
            59  C2b C    19.0528  -23.5928
            60  C1b C    21.2235  -22.1226
            61  C1a C    23.8834  -22.1226
            62  C1c C    20.4530  -23.5928
            63  C1a C    20.8030  -24.9230
            64  C1a C    25.1436  -13.0915
            65  P1a P    26.5438   -8.8209
            66  C1a C    27.9440   -8.8209
            67  C1a C    26.5438  -10.2211
            68  O3b O    26.5438   -7.4207
            69  O1a O    10.6294  -14.3518
BOND        72
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14   10  15 1
            15   13  16 1 #Down
            16   13  17 1
            17   15  18 1
            18   15  19 1
            19   20  16 1 #Down
            20   17  21 1
            21   17  22 1 #Up
            22   18  23 1
            23   18  24 1 #Down
            24   19  25 1
            25   20  26 1
            26   20  27 1
            27   28  23 1 #Down
            28   25  29 1
            29   25  30 2
            30   26  31 1
            31   28  32 1
            32   28  33 1
            33   29  34 1
            34   29  35 1 #Up
            35   31  36 1
            36   31  37 1 #Up
            37   32  38 1
            38   33  39 1
            39   34  40 2
            40   36  41 2
            41   36  42 1
            42   37  43 1
            43   38  44 1
            44   38  45 1 #Down
            45   40  46 1
            46   40  47 1
            47   41  48 1
            48   44  49 1 #Up
            49   46  50 1
            50   46  51 1 #Up
            51   48  52 2
            52   50  53 1
            53   50  54 1 #Down
            54   52  55 1
            55   53  56 1
            56   53  57 2
            57   54  58 1
            58   55  59 2
            59   56  60 1
            60   56  61 1 #Down
            61   59  62 1
            62   62  63 1 #Down
            63    9  12 1
            64   21  27 1
            65   39  44 1
            66   60  62 1
            67   45  64 1
            68   49  65 1
            69   65  66 1
            70   65  67 1
            71   65  68 2
            72   13  69 1 #Up

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