KEGG   DRUG: NitisinoneHelp
Entry
D05177                      Drug                                   

Name
Nitisinone (JAN/USAN/INN);
Orfadin (TN)
Product
Formula
C14H10F3NO5
Exact mass
329.0511
Mol weight
329.2281
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Therapeutic category: 
ATC code: 
Efficacy
Antityrosinemia
  Disease
Hereditary tyrosinemia type 1 [DS:H00165]
Comment
Treatment of hereditary tyrosinemia
Target
HPD [HSA:3242] [KO:K00457]
  Pathway
Ubiquinone and other terpenoid-quinone biosynthesis
Tyrosine metabolism
Phenylalanine metabolism
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
   A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
    A16AX Various alimentary tract and metabolism products
     A16AX04 Nitisinone
      D05177  Nitisinone (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Genetic or Enzyme Disorder: Replacement, Modifiers, Treatment
  Nitisinone
   D05177  Nitisinone (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D05177  Nitisinone (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   4-hydroxyphenylpyruvate dioxygenase
    Nitisinone
     D05177  Nitisinone (JAN/USAN/INN)
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D05177
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D05177
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D05177
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05177
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D05177
BRITE hierarchy
Other DBs
CAS: 
104206-65-7
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    23.8922  -17.9269
            2   C8x C    22.6973  -18.6148
            3   C8y C    21.5042  -17.9240
            4   C8x C    21.5059  -16.5453
            5   C8y C    22.7007  -15.8574
            6   C8y C    23.8938  -16.5482
            7   N2b N    22.7027  -14.4941 #+
            8   O3a O    23.9220  -13.3092
            9   O3a O    21.5318  -13.3326 #-
            10  C1d C    20.2904  -18.6227
            11  X   F    19.0953  -19.3126
            12  X   F    19.6134  -17.4475
            13  X   F    20.9910  -19.8387
            14  C5a C    25.1009  -15.8530
            15  C1y C    26.3194  -16.5585
            16  O5a O    25.1019  -14.4203
            17  C5x C    26.3176  -17.9900
            18  C1x C    27.5291  -18.6915
            19  C1x C    28.7424  -17.9930
            20  C1x C    28.7442  -16.5616
            21  C5x C    27.5327  -15.8600
            22  O5x O    27.5339  -14.4902
            23  O5x O    25.1061  -18.6874
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   1 1
            7     5   7 1
            8     7   8 2
            9     7   9 1
            10    3  10 1
            11   10  11 1
            12   10  12 1
            13   10  13 1
            14    6  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   15  21 1
            23   21  22 2
            24   17  23 2

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