KEGG   DRUG: Regadenoson
Entry
D05711                      Drug                                   

Name
Regadenoson (USAN);
Regadenoson hydrate (JAN);
Lexiscan (TN)
Product
Formula
C15H18N8O5. H2O
Exact mass
408.1506
Mol weight
408.3693
Structure
Remark
ATC code: C01EB21
Product: D05711<US>
Efficacy
Vasodilator (coronary), Adenosine A2a receptor agonist
Comment
Coronary vasodilator for intravenous use as an adjunct, or pharmacologic stress agent, in radionuclide myocardial perfusion imaging in patients unable to exercise adequately
Target
ADORA2A [HSA:135] [KO:K04266]
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB21 Regadenoson
      D05711  Regadenoson (USAN) <US>
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA2A
     D05711  Regadenoson (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D05711
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D05711
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05711
Other DBs
CAS: 875148-45-1
PubChem: 47207372
ChEMBL: CHEMBL3989695
LigandBox: D05711
LinkDB
KCF data

ATOM        29
            1   C1y C    15.5793  -13.9947
            2   C1y C    16.9687  -13.9947
            3   C1y C    17.3980  -12.6733
            4   O2x O    16.2740  -11.8566
            5   C1y C    15.1500  -12.6733
            6   O1a O    14.8846  -15.1979
            7   O1a O    17.6634  -15.1979
            8   N4y N    18.7076  -12.2478
            9   C1b C    13.8404  -12.2478
            10  O1a O    12.8040  -13.1808
            11  C8y C    19.7359  -13.1900
            12  C8y C    20.9490  -12.5043
            13  N5x N    20.6718  -11.1386
            14  C8x C    19.2873  -10.9802
            15  N5x N    19.7232  -14.5794
            16  C8y C    20.9199  -15.2850
            17  N5x N    22.2026  -14.5993
            18  C8y C    22.1459  -13.2100
            19  N1a N    23.3527  -12.4870
            20  N4y N    20.9596  -16.7036
            21  N5x N    19.8393  -17.5667
            22  C8x C    20.3141  -18.8989
            23  C8y C    21.7278  -18.9286
            24  C8x C    22.1267  -17.5023
            25  O5a O    21.6773  -21.3345
            26  C5a C    22.3971  -20.1461
            27  N1b N    23.7865  -20.1461
            28  C1a C    24.4926  -21.3684
            29  O0  O    15.4700  -20.6500
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Down
            7     2   7 1 #Down
            8     3   8 1 #Up
            9     5   9 1 #Up
            10    9  10 1
            11    8  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15    8  14 1
            16   11  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   12  18 2
            21   18  19 1
            22   16  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   20  24 1
            28   25  26 2
            29   23  26 1
            30   26  27 1
            31   27  28 1

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