KEGG   DRUG: IxazomibHelp
Entry
D10130                      Drug                                   

Name
Ixazomib (USAN)
Formula
C14H19BCl2N2O4
Exact mass
360.0815
Mol weight
361.0287
Structure
Mol fileKCF fileDB search
Remark
ATC code: L01XX50
Chemical structure group: DG01269
Product (DG01269): D10131<JP/US>
Efficacy
Antineoplastic, Proteasome inhibitor
Comment
Peptide boronic acid analog
Ixazomib inhibits the chymotrypsin-like subunit (beta 5) of the 20S proteasome reversibly.
Target
PSMB5 [HSA:5693] [KO:K02737]
  Pathway
hsa03050  Proteasome
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX50 Ixazomib
      D10130  Ixazomib (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antineoplastics, Other
   Ixazomib
    D10130  Ixazomib (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Threonine peptidases
    PSMB5
     D10130  Ixazomib (USAN)
BRITE hierarchy
Other DBs
CAS: 1072833-77-2
PubChem: 135626848
ChEBI: 90942
ChEMBL: CHEMBL2141296
PDB-CCD: 6V8[PDBj]
LinkDB All DBs
KCF data Show

ATOM        23
            1   C5a C    12.1800  -17.2200
            2   N1b N    13.3924  -17.9200
            3   C8y C    10.9676  -17.9200
            4   O5a O    12.1800  -15.8200
            5   C1b C    14.5879  -17.2296
            6   C5a C    15.7753  -17.9151
            7   N1b N    16.9665  -17.2271
            8   O5a O    15.7755  -19.3198
            9   C1c C    18.1560  -17.9138
            10  C1b C    19.3461  -17.2265
            11  Z   B    18.1562  -19.3198
            12  C1c C    20.5362  -17.9135
            13  C1a C    21.7260  -17.2263
            14  C1a C    20.5364  -19.3198
            15  C8x C     9.7721  -17.2296
            16  C8y C     8.5596  -17.9295
            17  C8x C     8.5594  -19.3295
            18  C8x C     9.7549  -20.0199
            19  C8y C    10.9674  -19.3200
            20  X   Cl   12.1966  -20.0300
            21  X   Cl    7.3284  -17.2185
            22  O1a O    19.3491  -20.0084
            23  O1a O    16.9242  -20.0314
BOND        23
            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   11  23 1

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