KEGG   DRUG: Forodesine hydrochlorideHelp
Entry
D04245                      Drug                                   

Name
Forodesine hydrochloride (JAN/USAN)
Formula
C11H14N4O4. HCl
Exact mass
302.0782
Mol weight
302.7142
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 4291
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
Interaction
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D04245  Forodesine hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    PNP
     D04245  Forodesine hydrochloride (JAN/USAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04245
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04245
BRITE hierarchy
Other DBs
CAS: 284490-13-7
PubChem: 47206191
ChEMBL: CHEMBL550755
LigandBox: D04245
NIKKAJI: J2.601.658D
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1y C    27.1514  -16.5810
            2   C1y C    28.5506  -16.5810
            3   C1y C    28.9829  -15.2503
            4   N1x N    27.8510  -14.4280
            5   C1y C    26.7191  -15.2503
            6   O1a O    26.3291  -17.7129
            7   O1a O    29.3729  -17.7129
            8   C1b C    25.4003  -14.8218
            9   C8y C    30.3017  -14.8218
            10  O1a O    24.3567  -15.7614
            11  C8y C    31.3625  -15.7417
            12  C8y C    32.5653  -15.0188
            13  N4x N    32.2495  -13.6515
            14  C8x C    30.8515  -13.5293
            15  N5x N    31.3871  -17.1407
            16  C8x C    32.6109  -17.8189
            17  N4x N    33.8137  -17.0959
            18  C8y C    33.7891  -15.6970
            19  O5x O    34.9994  -14.9696
            20  X   Cl   38.2745  -16.5110
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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