KEGG   DRUG: Selinexor
Entry
D11222                      Drug                                   
Name
Selinexor (USAN/INN);
Xpovio (TN)
Product
XPOVIO (Karyopharm Therapeutics)
Formula
C17H11F6N7O
Exact mass
443.0929
Mol weight
443.306
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
Transporter substrate
 DG03065  GST substrate
Remark
ATC code: L01XX66
Product: D11222<US>
Efficacy
Antineoplastic, Nuclear export inhibitor
  Disease
Multiple myeloma [DS:H00010]
Comment
Treatment of cancer
Target
XPO1 [HSA:7514] [KO:K14290]
  Pathway
hsa03013  Nucleocytoplasmic transport
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT [KO:K00699], GST [K00799]
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
     L01XX66 Selinexor
      D11222  Selinexor (USAN/INN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Selinexor
    D11222  Selinexor (USAN/INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D11222  Selinexor
  DG02924  UGT substrate
   D11222  Selinexor
 Transporter substrate
  DG03065  GST substrate
   D11222  Selinexor
Target-based classification of drugs [BR:br08310]
 Transporters
  Other transporters
   Channels and pores (TC:1)
    XPO1
     D11222  Selinexor (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11222
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11222
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11222
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11222
Other DBs
CAS: 1393477-72-9
PubChem: 384585200
ChEBI: 229764
LinkDB
KCF data

ATOM        31
            1   C8x C    12.2500  -16.6600
            2   C8y C    12.2500  -18.0600
            3   C8x C    13.4624  -18.7600
            4   C8y C    14.6749  -18.0600
            5   C8x C    14.6749  -16.6600
            6   C8y C    13.4624  -15.9600
            7   C1d C    13.4624  -14.5602
            8   X   F    12.0624  -14.5602
            9   X   F    14.8624  -14.5602
            10  X   F    13.4624  -13.1602
            11  C1d C    11.0376  -18.7600
            12  X   F    10.3376  -17.5476
            13  X   F    11.7376  -19.9724
            14  X   F     9.8251  -19.4600
            15  C8y C    15.9060  -18.7710
            16  N5x N    15.9249  -20.1596
            17  N4y N    17.2503  -20.5692
            18  C8x C    18.0495  -19.4353
            19  N5x N    17.2180  -18.3248
            20  C2b C    17.7021  -21.8944
            21  C2b C    19.1021  -21.8944
            22  C5a C    19.7973  -20.6903
            23  N1b N    21.2097  -20.6902
            24  O5a O    19.1132  -19.5057
            25  N1b N    21.8968  -19.5000
            26  C8y C    23.3097  -19.4997
            27  N5x N    24.0233  -20.7346
            28  C8x C    25.4233  -20.7341
            29  C8x C    26.1228  -19.5213
            30  N5x N    25.4092  -18.2864
            31  C8x C    24.0092  -18.2870
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     7   9 1
            10    7  10 1
            11    2  11 1
            12   11  12 1
            13   11  13 1
            14   11  14 1
            15    4  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 1
            19   18  19 2
            20   15  19 1
            21   17  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 1
            25   22  24 2
            26   23  25 1
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   26  31 1

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