KEGG   DRUG: Istradefylline
Entry
D04641                      Drug                                   
Name
Istradefylline (JAN/USAN/INN);
Nourianz (TN);
Nouriast (TN)
Product
NOURIANZ (Kyowa Kirin)
Formula
C20H24N4O4
Exact mass
384.1798
Mol weight
384.429
Structure
Class
Neuropsychiatric agent
 DG01967  Antiparkinson agent
  DG01613  Xantine-type antiparkinsonian agent
Metabolizing enzyme substrate
 DG01891  CYP1A1 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
 DG01915  CYP3A5 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Therapeutic category: 1169
ATC code: N04CX01
Product: D04641<JP/US>
Efficacy
Antiparkinsonian, Adenosine A2A receptor antagonist
  Disease
Parkinson's disease [DS:H00057]
Comment
Treatment of the symptoms of Parkinson's disease
Target
ADORA2A [HSA:135] [KO:K04266]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa05012  Parkinson disease
Metabolism
Enzyme: CYP1A1 [HSA:1543], CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]
Interaction
CYP inhibition: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07057  Antiparkinsonian agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N04 ANTI-PARKINSON DRUGS
   N04C OTHER ANTIPARKINSON DRUGS
    N04CX Other antiparkinson drugs
     N04CX01 Istradefylline
      D04641  Istradefylline (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Antiparkinson Agents, Other
   Istradefylline
    D04641  Istradefylline (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   116  Antiparkinsonian agents
    1169  Others
     D04641  Istradefylline (JAN/USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01967  Antiparkinson agent
   DG01613  Xantine-type antiparkinsonian agent
    D04641  Istradefylline
 Metabolizing enzyme substrate
  DG01891  CYP1A1 substrate
   D04641  Istradefylline
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D04641  Istradefylline
  DG02925  CYP3A5 substrate
   D04641  Istradefylline
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    D04641  Istradefylline
  DG01915  CYP3A5 inhibitor
   D04641  Istradefylline
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D04641  Istradefylline
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01967  Antiparkinson agent
   D04641  Istradefylline
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA2A
     D04641  Istradefylline (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04641
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04641
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04641
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04641
 Drug transporters
  D04641
Other DBs
CAS: 155270-99-8
PubChem: 47206484
PDB-CCD: JQ9[PDBj]
LigandBox: D04641
LinkDB
KCF data

ATOM        28
            1   N4y N    14.8400  -16.6600
            2   C8y C    14.8400  -18.0600
            3   N4y N    13.6500  -18.7600
            4   C8y C    12.3900  -18.0600
            5   C8y C    12.3900  -16.6600
            6   C8y C    13.6500  -15.9600
            7   O5x O    13.6500  -14.5600
            8   N4y N    11.0585  -16.2274
            9   C8y C    10.2356  -17.3600
            10  N5x N    11.0585  -18.4926
            11  C1a C    10.6297  -14.9078
            12  O5x O    16.0553  -18.7551
            13  C1b C    13.6672  -20.1599
            14  C1a C    14.8751  -20.8376
            15  C1b C    16.0553  -15.9649
            16  C1a C    17.2437  -16.6577
            17  C2b C     8.8200  -17.3600
            18  C2b C     8.1200  -16.1476
            19  C8y C     6.7202  -16.1476
            20  C8x C     6.0297  -14.9520
            21  C8x C     4.6297  -14.9522
            22  C8y C     3.9299  -16.1647
            23  C8y C     4.6203  -17.3602
            24  C8x C     6.0203  -17.3601
            25  O2a O     2.5200  -16.1648
            26  O2a O     3.9205  -18.5727
            27  C1a C     2.5202  -18.5729
            28  C1a C     1.8179  -17.3812
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     5   8 1
            9     8   9 1
            10    9  10 2
            11    4  10 1
            12    8  11 1
            13    2  12 2
            14    3  13 1
            15   13  14 1
            16    1  15 1
            17   15  16 1
            18    9  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   23  26 1
            29   26  27 1
            30   25  28 1

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