KEGG   DRUG: EverolimusHelp
Entry
D02714                      Drug                                   

Name
Everolimus (JAN/USAN/INN);
Afinitor (TN);
Votubia (TN);
Zortress (TN)
Product
Formula
C53H83NO14
Exact mass
957.5814
Mol weight
958.2244
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01597  mTOR inhibitor
Cyp substrate
 DG01633  CYP3A substrate
Transporter substrate
 DG01665  P-glycoprotein substrate
Remark
Therapeutic category: 
ATC code: 
Efficacy
Antineoplastic, Immunosuppressant, mTOR inhibitor
  Disease
Breast cancer (HER2-negative) [DS:H00031]
Pancreatic neuroendocrine tumor [DS:H00045]
Renal cell carcinoma [DS:H00021]
Renal angiomyolipoma with tuberous sclerosis complex (TSC) [DS:H01691]
Subependymal giant cell astrocytoma (SEGA) with tuberous scleorosis complex (TSC) [DS:H01692]
Comment
Rapamycin derivative
Indication: Advanced hormone receptor-positive, HER2-negative breast cancer, advanced neuroendocrine tumors of pancreatic origin, advanced renal cell carcinoma, tuberous sclerosis complex (TSC), subependymal giant cell astrocytoma with TSC
Target
MTOR [HSA:2475] [KO:K07203]
  Pathway
mTOR signaling pathway
Pathways in cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Genomic biomarker: HER2 [HSA:2064], ESR [HSA:2099 2100]
Drug interaction
Structure map
Antineoplastics - agents from natural products
Antineoplastics - protein kinases inhibitors
Immunosuppressive agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE10 Everolimus
      D02714  Everolimus (JAN/USAN/INN)
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA18 Everolimus
      D02714  Everolimus (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Everolimus
    D02714  Everolimus (JAN/USAN/INN)
 Immunological Agents
  Immune Suppressants
   Everolimus
    D02714  Everolimus (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D02714  Everolimus (JAN/USAN/INN)
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D02714  Everolimus (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: Others
   PIKK family
    mammalian target of rapamycin (mTOR)
     Everolimus
      D02714  Everolimus (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A
   Everolimus
    D02714  Everolimus (JAN/USAN/INN)
 CYP substrates
  CYP3A
   Everolimus
    D02714  Everolimus (JAN/USAN/INN)
 Transporter substrates
  ABCB1
   Everolimus
    D02714  Everolimus (JAN/USAN/INN)
Antineoplastics [br08340.html]
 D02714
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D02714
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02714
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02714
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02714
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D02714
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D02714
BRITE hierarchy
Other DBs
CAS: 
159351-69-6
PubChem: 
ChEBI: 
ChEMBL: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        68
            1   N1y N    28.0564  -21.8335
            2   C1y C    29.2458  -21.1339
            3   C5a C    28.0564  -23.2326
            4   C1x C    26.7971  -21.1339
            5   C7a C    30.4350  -21.8335
            6   C1x C    29.2458  -19.7348
            7   C5a C    26.7971  -23.9323
            8   O5a O    29.2458  -23.9323
            9   C1x C    26.7971  -19.7348
            10  O7a O    31.6243  -21.1339
            11  O6a O    30.4350  -22.9530
            12  C1x C    28.0564  -18.9652
            13  C1z C    26.7971  -25.3315
            14  O5a O    25.6079  -23.1628
            15  C1c C    32.8836  -21.8335
            16  O2x O    27.9864  -26.0311
            17  C1y C    25.5378  -26.0311
            18  O1a O    26.7971  -26.7307
            19  C1c C    34.0729  -21.1339
            20  C1b C    32.8836  -23.2326
            21  C1y C    27.9864  -27.4303
            22  C1x C    25.5378  -27.3603
            23  C1a C    24.3486  -25.2615
            24  C1b C    35.3321  -21.8335
            25  C1a C    34.0729  -19.7348
            26  C5a C    34.0729  -23.9323
            27  C1b C    29.1758  -28.1299
            28  C1x C    26.7971  -28.1299
            29  C1y C    36.5215  -21.1339
            30  C1c C    34.0729  -25.3315
            31  O5a O    35.3321  -23.1628
            32  C1c C    29.1758  -29.5291
            33  C1x C    37.7108  -21.8335
            34  C1x C    36.5215  -19.7348
            35  C2b C    35.3321  -26.0311
            36  C1a C    32.8836  -26.0311
            37  C2c C    30.3650  -30.2287
            38  O2a O    27.9864  -30.2287
            39  C1y C    38.9001  -21.1339
            40  C1x C    37.7108  -19.0352
            41  C2c C    35.3321  -27.3603
            42  C2b C    30.3650  -31.6279
            43  C1a C    31.6243  -29.5291
            44  C1a C    27.9864  -31.6279
            45  C1y C    38.9001  -19.7348
            46  O2a O    40.1594  -21.8335
            47  C1c C    36.5215  -28.0599
            48  C1a C    34.0729  -28.0599
            49  C2b C    31.5544  -32.3275
            50  O2a O    40.1594  -18.9652
            51  C1c C    36.5215  -29.4591
            52  O1a O    37.7108  -27.3603
            53  C2b C    31.5544  -33.7266
            54  C5a C    37.7108  -30.1587
            55  O2a O    35.2623  -30.1587
            56  C2b C    32.8137  -34.4262
            57  C1c C    37.7108  -31.5579
            58  O5a O    38.9001  -29.4591
            59  C1a C    35.2623  -31.5579
            60  C2b C    34.0029  -33.7266
            61  C1b C    36.5215  -32.2575
            62  C1a C    38.9001  -32.2575
            63  C1c C    35.4021  -33.7266
            64  C1a C    35.7519  -35.0559
            65  C1b C    41.4068  -19.6446
            66  C1b C    42.6136  -18.9066
            67  O1a O    43.8531  -19.5813
            68  C1a C    40.1594  -23.2335
BOND        71
            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   13  18 1 #Up
            18   15  19 1
            19   15  20 1
            20   21  16 1 #Down
            21   17  22 1
            22   17  23 1 #Up
            23   19  24 1
            24   19  25 1 #Down
            25   20  26 1
            26   21  27 1
            27   21  28 1
            28   24  29 1
            29   26  30 1
            30   26  31 2
            31   27  32 1
            32   29  33 1
            33   29  34 1
            34   30  35 1
            35   30  36 1 #Up
            36   32  37 1
            37   32  38 1 #Up
            38   33  39 1
            39   34  40 1
            40   35  41 2
            41   37  42 2
            42   37  43 1
            43   38  44 1
            44   39  45 1
            45   39  46 1 #Down
            46   41  47 1
            47   41  48 1
            48   42  49 1
            49   45  50 1 #Up
            50   47  51 1
            51   47  52 1 #Up
            52   49  53 2
            53   51  54 1
            54   51  55 1 #Down
            55   53  56 1
            56   54  57 1
            57   54  58 2
            58   55  59 1
            59   56  60 2
            60   57  61 1
            61   57  62 1 #Down
            62   60  63 1
            63   63  64 1 #Down
            64    9  12 1
            65   22  28 1
            66   40  45 1
            67   61  63 1
            68   50  65 1
            69   65  66 1
            70   66  67 1
            71   46  68 1

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