KEGG   DRUG: Selpercatinib
Entry
D11713                      Drug                                   
Name
Selpercatinib (JAN/USAN/INN);
Retevmo (TN)
Product
RETEVMO (Eli Lilly and Company)
Formula
C29H31N7O3
Exact mass
525.2488
Mol weight
525.6015
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01EX22
Product: D11713<JP/US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (RET fusion positive) [DS:H00014]
Medullary thyroid cancer (RET mutant) [DS:H01592]
Thyroid cancer (RET fusion positive) [DS:H00032]
Comment
Treatment of solid tumors
Target
RET* [HSA_VAR:5979v1 5979v2] [HSA:5979] [KO:K05126]
VEGFR1 (FLT1) [HSA:2321] [KO:K05096]
VEGFR3 (FLT4) [HSA:2324] [KO:K05097]
  Pathway
hsa05200  Pathways in cancer
hsa05216  Thyroid cancer
hsa05223  Non-small cell lung cancer
hsa05230  Central carbon metabolism in cancer
  Network
nt06266  Non-small cell lung cancer
nt06274  Thyroid cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EX Other protein kinase inhibitors
     L01EX22 Selpercatinib
      D11713  Selpercatinib (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Selpercatinib
    D11713  Selpercatinib (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11713  Selpercatinib (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   D11713  Selpercatinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D11713  Selpercatinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   VEGFR family
    VEGFR1 (FLT1)
     D11713  Selpercatinib (JAN/USAN/INN) <JP/US>
    VEGFR3 (FLT4)
     D11713  Selpercatinib (JAN/USAN/INN) <JP/US>
   RET family
    RET* [HSA_VAR:5979v1 5979v2]
     D11713  Selpercatinib (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11713
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11713
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11713
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11713
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11713
Other DBs
CAS: 2152628-33-4
PubChem: 405226579
PDB-CCD: Q6G[PDBj]
LinkDB
KCF data

ATOM        39
            1   N1y N    18.0600  -15.8200
            2   C1x C    18.0600  -17.2200
            3   C1y C    19.2500  -17.9200
            4   N1y N    20.5100  -17.2200
            5   C1y C    20.5100  -15.8200
            6   C1x C    19.2500  -15.1200
            7   C1b C    21.7000  -17.9200
            8   C8y C    22.8900  -17.2200
            9   C8x C    24.0800  -17.9200
            10  N5x N    25.3400  -17.2200
            11  C8y C    25.3400  -15.8200
            12  C8x C    24.1500  -15.1200
            13  C8x C    22.8900  -15.8200
            14  O2a O    26.5300  -15.1200
            15  C1a C    27.7200  -15.8200
            16  C8y C    16.8700  -15.1200
            17  C8x C    16.8700  -13.7200
            18  C8x C    15.6100  -13.0200
            19  C8y C    14.4200  -13.7200
            20  C8x C    14.4200  -15.1200
            21  N5x N    15.6100  -15.8200
            22  C8y C    13.2300  -13.0200
            23  C8y C    13.2300  -11.6200
            24  N4y N    11.9700  -10.9200
            25  C8x C    10.7800  -11.6200
            26  C8y C    10.7800  -13.0200
            27  C8x C    11.9700  -13.7200
            28  C8y C    14.2800  -10.7100
            29  C8x C    13.6500   -9.3800
            30  N5x N    12.3200   -9.5200
            31  O2a O     9.5900  -13.7200
            32  C1b C     8.4000  -13.0200
            33  C1d C     7.2100  -13.7200
            34  O1a O     5.9500  -14.4200
            35  C1a C     6.5100  -12.5300
            36  C1a C     7.9100  -14.9100
            37  C3b C    15.6800  -10.9900
            38  N3a N    17.0100  -11.2700
            39  C1x C    19.2500  -16.5200
BOND        44
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16   14  15 1
            17    1  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   22  27 2
            31   23  28 2
            32   28  29 1
            33   29  30 2
            34   24  30 1
            35   26  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   33  35 1
            40   33  36 1
            41   28  37 1
            42   37  38 3
            43    3  39 1
            44   39   5 1

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