KEGG   DRUG: Ifosfamide
Entry
D00343                      Drug                                   
Name
Ifosfamide (JAN/USP/INN);
Ifex (TN)
Product
  Generic
Formula
C7H15Cl2N2O2P
Exact mass
260.0248
Mol weight
261.086
Structure
Simcomp
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01678  Nitrogen mustard analog
   DG01720  Isophosphoramide mustard analog
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C07047
Therapeutic category: 4211
ATC code: L01AA06
Product: D00343<JP/US>
Efficacy
Antineoplastic, Alkylating agent
  Disease
Testicular cancer [DS:H00023]
Comment
Active form of prodrug: 4-Hydroxyifosfamide [CPD:C16553]
Target
DNA
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07040  Antineoplastics - alkylating agents
Other map
map00982  Drug metabolism - cytochrome P450
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AA Nitrogen mustard analogues
     L01AA06 Ifosfamide
      D00343  Ifosfamide (JAN/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   421  Alkylating agents
    4211  Chlorethylamines
     D00343  Ifosfamide (JAN/USP/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01677  Alkylating agent
   DG01678  Nitrogen mustard analog
    DG01720  Isophosphoramide mustard analog
     D00343  Ifosfamide
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00343  Ifosfamide
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00343
Prodrugs [br08324.html]
 D00343
Other DBs
CAS: 3778-73-2
PubChem: 7847409
ChEBI: 5864
LigandBox: D00343
NIKKAJI: J2.196B
LinkDB
KCF data

ATOM        14
            1   P1a P    27.8304  -19.5949
            2   N1b N    27.8362  -18.1152
            3   N1y N    28.9741  -20.2612
            4   O2x O    26.6807  -20.2612
            5   O3b O    26.5511  -18.8521
            6   C1x C    28.9741  -21.5877
            7   C1x C    26.6807  -21.5877
            8   C1x C    27.8304  -22.2421
            9   C1b C    30.1794  -19.5230
            10  C1b C    31.4045  -20.2302
            11  X   Cl   32.6294  -19.5230
            12  C1b C    26.6476  -17.4300
            13  C1b C    25.4351  -18.1300
            14  X   Cl   24.2227  -17.4300
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     7   8 1
            9     3   9 1
            10    9  10 1
            11   10  11 1
            12    2  12 1
            13   12  13 1
            14   13  14 1

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