KEGG   DRUG: Nitisinone
Entry
D05177                      Drug                                   
Name
Nitisinone (JAN/USAN/INN);
Orfadin (TN)
Product
NITYR (Cycle Pharmaceuticals), ORFADIN (SWEDISH ORPHAN BIOVITRUM AB (PUBL)), ORFADIN (Swedish Orphan Biovitrum AB (publ))
  Generic
NITISINONE (Analog Pharma), NITISINONE (Bryant Ranch Prepack), NITISINONE (Bryant Ranch Prepack), NITISINONE (Bryant Ranch Prepack), NITISINONE (Eton Pharmaceuticals), NITISINONE (Par Pharmaceutical)
Formula
C14H10F3NO5
Exact mass
329.0511
Mol weight
329.23
Structure
Class
Metabolizing enzyme inhibitor
 DG01643  CYP2C9 inhibitor
Transporter inhibitor
 DG02901  SLC22A6 inhibitor
 DG02866  SLC22A8 inhibitor
Remark
Therapeutic category: 3999
ATC code: A16AX04
Product: D05177<JP/US>
Efficacy
Antityrosinemia
  Disease
Hereditary tyrosinemia type 1 [DS:H00165]
Comment
Treatment of hereditary tyrosinemia
Target
HPD [HSA:3242] [KO:K00457]
  Pathway
hsa00130  Ubiquinone and other terpenoid-quinone biosynthesis
hsa00350  Tyrosine metabolism
hsa00360  Phenylalanine metabolism
  Network
nt06016  Phenylalanine and tyrosine metabolism
Interaction
CYP inhibition: CYP2C9 [HSA:1559]
Transporter inhibition: SLC22A6 [HSA:9356], SLC22A8 [HSA:9376]
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) <JP/US>
USP drug classification [BR:br08302]
 Genetic, Enzyme, or Protein 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)
Drug groups [BR:br08330]
 Metabolizing enzyme inhibitor
  DG01643  CYP2C9 inhibitor
   D05177  Nitisinone
 Transporter inhibitor
  DG02901  SLC22A6 inhibitor
   D05177  Nitisinone
  DG02866  SLC22A8 inhibitor
   D05177  Nitisinone
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dioxygenases
    HPD
     D05177  Nitisinone (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  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
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05177
 Drug transporters
  D05177
Pharmacogenomic biomarkers [br08341.html]
 Germline mutations in genetic disorder treatments
  D05177
Other DBs
CAS: 104206-65-7
PubChem: 47206901
ChEBI: 50378
LigandBox: D05177
NIKKAJI: J519.110F
LinkDB
KCF data

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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