KEGG   DRUG: DeferasiroxHelp
Entry
D03669                      Drug                                   

Name
Deferasirox (JAN/USAN/INN);
Exjade (TN)
Product
Formula
C21H15N3O4
Exact mass
373.1063
Mol weight
373.3615
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Other
 DG01692  Chelator
  DG01691  Iron chelator
Cyp inhibitor
 DG01634  CYP1A2 inhibitor
 DG01641  CYP2C8 inhibitor
Cyp inducer
 DG01635  CYP3A4 inducer
Remark
Therapeutic category: 
ATC code: 
Activity
Antidote (iron), Chelating agent
Comment
Treatment of iron overload
Metabolism
Enzyme: UGT1A1 [HSA:54658], UGT1A3 [HSA:54659]
Interaction
CYP induction: CYP3A4 [HSA:1576]
CYP inhibition: CYP1A2 [HSA:1544], CYP2C8 [HSA:1558]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AC Iron chelating agents
     V03AC03 Deferasirox
      D03669  Deferasirox (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Therapeutic Nutrients/Minerals/Electrolytes
  Electrolyte/Mineral Modifiers
   Deferasirox
    D03669  Deferasirox (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   392  Antidotes
    3929  Others
     D03669  Deferasirox (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP1A2
   Deferasirox
    D03669  Deferasirox (JAN/USAN/INN)
  CYP2C8
   Deferasirox
    D03669  Deferasirox (JAN/USAN/INN)
  CYP3A4
   Deferasirox
    D03669  Deferasirox (JAN/USAN/INN)
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D03669
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D03669
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D03669
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D03669
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D03669
BRITE hierarchy
Other DBs
CAS: 
201530-41-8
PubChem: 
DrugBank: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        28
            1   N5x N     8.9600  -13.9300
            2   C8y C     8.9600  -15.3300
            3   N5x N    10.2915  -15.7626
            4   N4y N    11.1144  -14.6300
            5   C8y C    10.2915  -13.4974
            6   C8y C    12.5144  -14.6300
            7   C8x C    13.2182  -15.8492
            8   C8x C    14.6182  -15.8492
            9   C8y C    15.3183  -14.6368
            10  C8x C    14.6145  -13.4177
            11  C8x C    13.2145  -13.4176
            12  C6a C    16.7300  -14.6370
            13  O6a O    17.4331  -13.4194
            14  O6a O    17.4269  -15.8442
            15  C8y C     7.7476  -16.0300
            16  C8x C     6.5521  -15.3396
            17  C8x C     5.3396  -16.0395
            18  C8x C     5.3394  -17.4395
            19  C8x C     6.5349  -18.1299
            20  C8y C     7.7474  -17.4300
            21  O1a O     8.9766  -18.1400
            22  C8y C    10.2915  -12.0974
            23  C8x C    11.4973  -11.4012
            24  C8x C    11.4974  -10.0012
            25  C8x C    10.2850   -9.3012
            26  C8x C     9.0791   -9.9973
            27  C8y C     9.0791  -11.3973
            28  O1a O     7.8771  -12.0915
BOND        31
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     4   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    6  11 1
            13    9  12 1
            14   12  13 2
            15   12  14 1
            16    2  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   20  21 1
            24    5  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   27  28 1

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