KEGG   DRUG: ForodesineHelp
Entry
D06596                      Drug                                   

Name
Forodesine (USAN/INN);
Fodosine (TN)
Formula
C11H14N4O4
Exact mass
266.1015
Mol weight
266.2533
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01392
Product (DG01392): D04245<JP>
Efficacy
Antineoplastic, Purine nucleoside phosphorylase (PNP) inhibitor
Comment
Treatment of T-Cell malignancies such as acute lymphoblastic leukemia (ALL) and cutaneous T-Cell lymphoma (CTCL)
Target
PNP [HSA:4860] [KO:K03783]
  Pathway
hsa00230  Purine metabolism
hsa00240  Pyrimidine metabolism
hsa00760  Nicotinate and nicotinamide metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    PNP
     D06596  Forodesine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 209799-67-7
PubChem: 47208247
ChEMBL: CHEMBL218291
PDB-CCD: IMH[PDBj]
LigandBox: D06596
LinkDB All DBs
KCF data Show

ATOM        19
            1   C1y C    27.4995  -18.3298
            2   C1y C    28.8986  -18.3298
            3   C1y C    29.3308  -16.9992
            4   N1x N    28.1990  -16.1770
            5   C1y C    27.0672  -16.9992
            6   O1a O    26.6772  -19.4616
            7   O1a O    29.7208  -19.4616
            8   C1b C    25.7485  -16.5708
            9   C8y C    30.6496  -16.5708
            10  O1a O    24.7050  -17.5103
            11  C8y C    31.7103  -17.4906
            12  C8y C    32.9130  -16.7677
            13  N4x N    32.5972  -15.4005
            14  C8x C    31.1993  -15.2783
            15  N5x N    31.7349  -18.8895
            16  C8x C    32.9586  -19.5676
            17  N4x N    34.1613  -18.8447
            18  C8y C    34.1367  -17.4459
            19  O5x O    35.3469  -16.7185
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Down
            7     2   7 1 #Down
            8     5   8 1 #Up
            9     3   9 1 #Up
            10    8  10 1
            11    9  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15    9  14 2
            16   11  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 1
            20   12  18 1
            21   18  19 2

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