KEGG   DRUG: CiforadenantHelp
Entry
D11547                      Drug                                   

Name
Ciforadenant (USAN)
Formula
C20H21N7O3
Exact mass
407.1706
Mol weight
407.4258
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic, Adenosine A2A receptor antagonist
Target
ADORA2A [HSA:135] [KO:K04266]
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA2A
     D11547  Ciforadenant (USAN)
BRITE hierarchy
Other DBs
CAS: 1202402-40-1
PubChem: 384585523
KCF data Show

ATOM        30
            1   N5x N    25.5500  -25.6900
            2   C8y C    25.9700  -27.0200
            3   C8y C    27.3700  -27.0200
            4   N4y N    27.7900  -25.6900
            5   N5x N    26.6700  -24.8500
            6   C8y C    25.2700  -28.2100
            7   N5x N    25.9700  -29.4000
            8   C8y C    27.3700  -29.4000
            9   N5x N    28.0700  -28.2100
            10  C1b C    28.9800  -24.9900
            11  C8y C    30.1700  -25.6900
            12  C8x C    30.1700  -27.0900
            13  C8x C    31.4300  -27.7900
            14  C8x C    32.6200  -27.0900
            15  C8y C    32.6200  -25.6900
            16  N5x N    31.4300  -24.9900
            17  N1a N    28.0651  -30.6153
            18  C8y C    23.8700  -28.2100
            19  C8x C    23.0471  -27.0774
            20  C8x C    21.7156  -27.5100
            21  C8y C    21.7156  -28.9100
            22  O2x O    23.0471  -29.3426
            23  C1a C    20.5728  -29.7404
            24  C1b C    33.8353  -24.9949
            25  O2a O    35.0237  -25.6877
            26  C1y C    36.2201  -25.0035
            27  C1x C    37.4667  -25.5645
            28  O2x O    38.3855  -24.5524
            29  C1x C    37.7068  -23.3657
            30  C1x C    36.3685  -23.6445
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     2   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    3   9 2
            11   10  11 1
            12   10   4 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    8  17 1
            20    6  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   18  22 1
            26   21  23 1
            27   15  24 1
            28   24  25 1
            29   26  25 1 #Up
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   26  30 1

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