KEGG   DRUG: Deferasirox
Entry
D03669                      Drug                                   
Name
Deferasirox (JAN/USAN/INN);
Exjade (TN);
Jadenu (TN)
Product
EXJADE (Novartis Pharmaceuticals Corporation), JADENU (Novartis Pharmaceuticals Corporation)
  Generic
DEFERASIROX (Actavis Pharma), DEFERASIROX (Actavis Pharma), DEFERASIROX (Alembic Pharmaceuticals Limited), DEFERASIROX (Alembic Pharmaceuticals Limited), DEFERASIROX (Alembic Pharmaceuticals), DEFERASIROX (Alembic Pharmaceuticals), DEFERASIROX (Amneal Pharmaceuticals NY LLC), DEFERASIROX (Amneal Pharmaceuticals NY LLC), DEFERASIROX (Ascend Laboratories), DEFERASIROX (Ascend Laboratories), DEFERASIROX (Aurobindo Pharma Limited), DEFERASIROX (Bionpharma), DEFERASIROX (Camber Pharmaceuticals), DEFERASIROX (Camber Pharmaceuticals), DEFERASIROX (Cipla USA), DEFERASIROX (Cipla USA), DEFERASIROX (Dr. Reddy's Laboratories), DEFERASIROX (Dr. Reddy's Laboratories), DEFERASIROX (Glenmark Pharmaceuticals), DEFERASIROX (MSN LABORATORIES PRIVATE LIMITED), DEFERASIROX (MSN LABORATORIES PRIVATE LIMITED), DEFERASIROX (Sun Pharmaceutical Industries), DEFERASIROX (Sun Pharmaceutical Industries), DEFERASIROX (Xiromed), DEFERASIROX (Zydus Lifesciences Limited), DEFERASIROX (Zydus Lifesciences Limited), DEFERASIROX (Zydus Pharmaceuticals USA), DEFERASIROX (Zydus Pharmaceuticals USA), DEFERASIROX ORAL (Ascend Laboratories), DEFERASIROX ORAL GRANULES (EPIC PHARMA), DEFERASOROX (MSN LABORATORIES PRIVATE LIMITED), DEFERASOROX (Novadoz Pharmaceuticals LLC)
Formula
C21H15N3O4
Exact mass
373.1063
Mol weight
373.3615
Structure
Simcomp
Class
Vitamin and mineral
 DG01692  Chelator
  DG01691  Iron chelator
Metabolizing enzyme substrate
 DG02924  UGT substrate
  DG03183  UGT1A1 substrate
  DG03184  UGT1A3 substrate
Metabolizing enzyme inhibitor
 DG01634  CYP1A2 inhibitor
 DG01641  CYP2C8 inhibitor
Metabolizing enzyme inducer
 DG02853  CYP3A/CYP3A4 inducer
  DG01635  CYP3A4 inducer
Remark
Therapeutic category: 3929
ATC code: V03AC03
Product: D03669<JP/US>
Efficacy
Antidote (iron), Chelating agent
Comment
Treatment of iron overload
Metabolism
Enzyme: UGT1A1 [HSA:54658], UGT1A3 [HSA:54659]
Interaction
CYP inhibition: CYP1A2 [HSA:1544], CYP2C8 [HSA:1558]
CYP induction: CYP3A4 [HSA:1576]
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) <JP/US>
USP drug classification [BR:br08302]
 Electrolytes/Minerals/Metals/Vitamins
  Electrolyte/Mineral/Metal 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)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01691  Iron chelator
    D03669  Deferasirox
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    D03669  Deferasirox
   DG03184  UGT1A3 substrate
    D03669  Deferasirox
 Metabolizing enzyme inhibitor
  DG01634  CYP1A2 inhibitor
   D03669  Deferasirox
  DG01641  CYP2C8 inhibitor
   D03669  Deferasirox
 Metabolizing enzyme inducer
  DG02853  CYP3A/CYP3A4 inducer
   DG01635  CYP3A4 inducer
    D03669  Deferasirox
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  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
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03669
Other DBs
CAS: 201530-41-8
PubChem: 17397765
ChEBI: 49005
PDB-CCD: JBL[PDBj]
LigandBox: D03669
KCF data

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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Ontology (9)   
   KEGG BRITE (9)   
Drug (8)   
   KEGG DGROUP (6)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   PDB-CCD (1)   
All databases (22)   

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