KEGG   DRUG: D04641Help
Entry
D04641                      Drug                                   
Name
Istradefylline (JAN/USAN/INN)
Formula
C20H24N4O4
Exact mass
384.1798
Mol weight
384.429
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of the symptoms of Parkinson's disease [adenosine A2A receptor antagonist] [DS:H00057]
Target
adenosine A2a receptor antagonist [HSA:135] [KO:K04266]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    adenosine A2a receptor [HSA:135] [KO:K04266]
     Istradefylline
      D04641  Istradefylline (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
155270-99-8
PubChem: 
LigandBox: 
KCF data Show

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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