KEGG   DRUG: CyclophosphamideHelp
Entry
D07760                      Drug                                   

Name
Cyclophosphamide (INN);
Cyclophosphamide (TN);
Cytoxan (TN)
Formula
C7H15Cl2N2O2P
Exact mass
260.0248
Mol weight
261.086
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01678  Nitrogen mustard analog
   DG01720  Isophosphoramide mustard analog
Enzyme substrate
 DG01638  CYP2A6 substrate
 DG01642  CYP2C9 substrate
 DG01633  CYP3A substrate
Remark
Same as: C07888
ATC code: L01AA01
Chemical structure group: DG00675
Product (DG00675): D00287<JP/US>
Efficacy
Antineoplastic, Alkylating agent
Comment
Active form of prodrug: 4-Hydroxycyclophosphamide [CPD:C07643]
Target
DNA
Metabolism
Enzyme: CYP2B6 [HSA:1555]; CYP2A6 [HSA:1548], CYP2C8 [HSA:1558], CYP2C9 [HSA:1559], CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07040  Antineoplastics - alkylating agents
map07046  Immunosuppressive agents
map07050  Antirheumatics - DMARDs and biological 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
     L01AA01 Cyclophosphamide
      D07760  Cyclophosphamide (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Alkylating Agents
   Cyclophosphamide
    D07760  Cyclophosphamide (INN)
Prodrugs [br08324.html]
 D07760
Prodrugs [br08324.html]
 DG00675
BRITE hierarchy
Other DBs
CAS: 50-18-0
PubChem: 51092052
ChEBI: 4027
ChEMBL: CHEMBL88
DrugBank: DB00531
LigandBox: D07760
NIKKAJI: J2.793F
LinkDB All DBs
KCF data Show

ATOM        14
            1   P1a P    23.6600  -17.8500
            2   N1c N    23.6600  -16.3800
            3   N1x N    24.7800  -18.4800
            4   O2x O    22.5400  -18.4800
            5   O3b O    22.4000  -17.1500
            6   C1b C    22.4000  -15.6800
            7   C1b C    24.9200  -15.6100
            8   C1x C    24.7800  -19.8100
            9   C1x C    22.5400  -19.8100
            10  C1b C    21.1400  -16.5200
            11  C1b C    26.1800  -16.2400
            12  C1x C    23.6600  -20.4400
            13  X   Cl   19.8100  -15.8200
            14  X   Cl   27.4400  -15.4700
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    7  11 1
            11    8  12 1
            12   10  13 1
            13   11  14 1
            14    9  12 1

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