KEGG   DRUG: Ixazomib citrate
Entry
D10131                      Drug                                   
Name
Ixazomib citrate (JAN/USAN);
Ninlaro (TN)
Product
NINLARO (Takeda Pharmaceuticals America)
Formula
C20H23BCl2N2O9
Exact mass
516.0874
Mol weight
517.12
Structure
Class
Antineoplastic
 DG03134  Proteasome inhibitor
Remark
Therapeutic category: 4291
ATC code: L01XG03
Chemical structure group: DG01269
Product (DG01269): D10131<JP/US>
Efficacy
Antineoplastic, Proteasome inhibitor
  Disease
Multiple myeloma [DS:H00010]
Target
PSMB5 [HSA:5693] [KO:K02737]
  Pathway
hsa03050  Proteasome
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XG Proteasome inhibitors
     L01XG03 Ixazomib
      D10131  Ixazomib citrate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Proteasome Inhibitors
    Ixazomib
     D10131  Ixazomib citrate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10131  Ixazomib citrate (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03134  Proteasome inhibitor
   DG01269  Ixazomib
    D10131  Ixazomib citrate
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Threonine peptidases
   Proteasome family
    PSMB5
     D10131  Ixazomib citrate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10131
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10131
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10131
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10131
Drug groups [BR:br08330]
 Antineoplastic
  DG03134  Proteasome inhibitor
   DG01269  Ixazomib
Other DBs
CAS: 1239908-20-3
PubChem: 135626849
ChEBI: 90939
LinkDB
KCF data

ATOM        34
            1   C5a C    22.1900  -20.4400
            2   N1b N    23.3800  -21.1400
            3   C8y C    20.9300  -21.1400
            4   O5a O    22.1900  -19.0400
            5   C1b C    24.5700  -20.4400
            6   C5a C    25.7600  -21.1400
            7   N1b N    27.0200  -20.4400
            8   O5a O    25.7600  -22.5400
            9   C1c C    28.2100  -21.1400
            10  C1b C    29.4000  -20.4400
            11  Z   B    28.2100  -22.5400
            12  C1c C    30.5900  -21.1400
            13  C1a C    31.7800  -20.4400
            14  C1a C    30.5900  -22.5400
            15  C8x C    19.7400  -20.4400
            16  C8y C    18.5500  -21.1400
            17  C8x C    18.5500  -22.5400
            18  C8x C    19.7400  -23.2400
            19  C8y C    20.9300  -22.5400
            20  X   Cl   22.1900  -23.3100
            21  X   Cl   17.2900  -20.4400
            22  O7x O    27.0774  -23.3629
            23  C7x C    27.5100  -24.6944
            24  C1z C    28.9100  -24.6944
            25  O2x O    29.3426  -23.3629
            26  O6a O    26.6796  -25.8372
            27  C1b C    29.7404  -25.8372
            28  C1b C    28.2681  -25.9542
            29  C6a C    31.1430  -25.8297
            30  C6a C    28.9681  -27.1666
            31  O6a O    31.8514  -27.0416
            32  O6a O    30.3800  -27.1667
            33  O6a O    28.2740  -28.3689
            34  O6a O    31.8381  -24.6108
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     7   9 1
            9     9  10 1
            10    9  11 1 #Up
            11   10  12 1
            12   12  13 1
            13   12  14 1
            14    3  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19    3  19 1
            20   19  20 1
            21   16  21 1
            22   11  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   11  25 1
            27   23  26 2
            28   24  27 1
            29   24  28 1
            30   27  29 1
            31   28  30 1
            32   29  31 2
            33   30  32 2
            34   30  33 1
            35   29  34 1

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