KEGG   DRUG: Rolofylline
Entry
D08989                      Drug                                   

Name
Rolofylline (USAN)
Formula
C20H28N4O2
Exact mass
356.2212
Mol weight
356.4619
Structure
Class
Other
 DG01616  Xanthine derivative
  DG01614  Xanthine-type vasodilator
Efficacy
Diuretic, Adenosine A1 receptor antagonist
Comment
Treatment of heart of failure in patients with renal impairment undergoing diuresis
Target
ADORA1 [HSA:134] [KO:K04265]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA1
     D08989  Rolofylline (USAN)
Other DBs
CAS: 136199-02-5
PubChem: 96025672
ChEBI: 177647
ChEMBL: CHEMBL52333
LigandBox: D08989
NIKKAJI: J467.480D
LinkDB
KCF data

ATOM        26
            1   C1y C    21.0111  -14.8084
            2   C1x C    22.8274  -16.2056
            3   C1z C    23.5958  -14.9482
            4   C1x C    20.2427  -16.0659
            5   C1y C    21.6398  -15.6468
            6   C1x C    22.2685  -15.2975
            7   C1x C    21.6398  -14.1098
            8   C1y C    22.2685  -12.9921
            9   C1x C    21.0111  -13.4112
            10  C8y C    27.1586  -14.2495
            11  C8y C    27.1586  -15.6468
            12  N4y N    28.3685  -16.3453
            13  C8y C    29.5785  -15.6468
            14  N4y N    29.5785  -14.2495
            15  C8y C    28.3685  -13.5509
            16  N4x N    25.8298  -13.8178
            17  C8y C    25.0086  -14.9482
            18  N5x N    25.8298  -16.0785
            19  O5x O    28.3685  -12.1540
            20  O5x O    30.8071  -16.3563
            21  C1b C    30.8071  -13.5400
            22  C1b C    32.0099  -14.2342
            23  C1a C    33.1898  -13.5528
            24  C1b C    28.3685  -17.7423
            25  C1b C    27.1418  -18.4507
            26  C1a C    27.1418  -19.8479
BOND        30
            1     1   4 1
            2     4   5 1
            3     1   6 1
            4     5   2 1
            5     5   7 1
            6     1   9 1
            7     8   9 1
            8     2   3 1
            9    10  11 2
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   10  15 1
            15   10  16 1
            16   16  17 1
            17   17  18 2
            18   11  18 1
            19   15  19 2
            20   13  20 2
            21   14  21 1
            22   21  22 1
            23   22  23 1
            24   12  24 1
            25   24  25 1
            26   25  26 1
            27    3  17 1
            28    8   7 1
            29    6   3 1
            30    8   3 1

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