KEGG   DRUG: Salmeterol xinafoateHelp
Entry
D00687                      Drug                                   

Name
Salmeterol xinafoate (JAN/USAN);
Serevent (TN)
Product
Formula
C25H37NO4. C11H8O3
Exact mass
603.3196
Mol weight
603.745
Structure
Mol fileKCF fileDB search
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Cyp substrate
 DG01633  CYP3A substrate
Remark
Therapeutic category: 2259
ATC code: R03AC12
Chemical structure group: DG01051
Product (DG01051): D00687<JP/US>
Product (mixture): D08699<JP/US>
Efficacy
Bronchodilator, beta2-Adrenergic receptor agonist
  Disease
Asthma [DS:H00079]
Chronic obstructive pulmonary disease [DS:H01714]
Comment
Phenethylamine derivative
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03A ADRENERGICS, INHALANTS
    R03AC Selective beta-2-adrenoreceptor agonists
     R03AC12 Salmeterol
      D00687  Salmeterol xinafoate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Bronchodilators, Sympathomimetic
   Salmeterol
    D00687  Salmeterol xinafoate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   225  Bronchodilators
    2259  Others
     D00687  Salmeterol xinafoate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB2
     D00687  Salmeterol xinafoate (JAN/USAN) <JP/US>
Drug classes of therapeutic agents [br08360.html]
 Respiratory agents
  D00687
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00687
BRITE hierarchy
Other DBs
CAS: 94749-08-3
PubChem: 7847753
ChEBI: 9012
ChEMBL: CHEMBL1082607
DrugBank: DB00938
LigandBox: D00687
NIKKAJI: J523.295C
KCF data Show

ATOM        44
            1   C8y C    17.7390  -20.3518
            2   C8y C    17.7390  -18.9454
            3   C8x C    18.9597  -21.0586
            4   C8x C    16.5111  -21.0586
            5   C8y C    18.9597  -18.2528
            6   C8x C    16.5181  -18.2315
            7   C8x C    20.1663  -20.3518
            8   C8x C    15.2831  -20.3518
            9   C8y C    20.1663  -18.9454
            10  O1a O    18.9597  -16.8607
            11  C8x C    15.2901  -18.9311
            12  C6a C    21.3656  -18.2528
            13  O6a O    22.5720  -18.9454
            14  O6a O    21.3656  -16.8607
            15  C8y C    10.9900  -13.7200
            16  C8x C     9.8000  -14.4200
            17  C8x C    10.9900  -12.3200
            18  C1c C    12.1800  -14.4200
            19  C8y C     8.5400  -13.7200
            20  C8x C     9.8000  -11.6200
            21  C1b C    13.3700  -13.7200
            22  O1a O    12.1800  -15.8200
            23  C8y C     8.5400  -12.3200
            24  C1b C     7.3500  -14.4200
            25  N1b N    14.6300  -14.4200
            26  O1a O     7.3500  -11.6200
            27  O1a O     6.0900  -13.7200
            28  C1b C    15.8200  -13.7200
            29  C1b C    17.0100  -14.4200
            30  C1b C    18.2700  -13.7200
            31  C1b C    19.4600  -14.4200
            32  C1b C    20.6500  -13.7200
            33  C1b C    21.8400  -14.4200
            34  O2a O    23.1000  -13.7900
            35  C1b C    24.2900  -14.4900
            36  C1b C    25.4800  -13.7900
            37  C1b C    26.7400  -14.4900
            38  C1b C    27.9300  -13.7900
            39  C8y C    29.1200  -14.4900
            40  C8x C    30.3800  -13.7900
            41  C8x C    29.1200  -15.8900
            42  C8x C    31.5700  -14.4900
            43  C8x C    30.3100  -16.5900
            44  C8x C    31.5700  -15.8900
BOND        46
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 2
            11    9  12 1
            12   12  13 1
            13   12  14 2
            14    7   9 1
            15    8  11 1
            16   15  16 2
            17   15  17 1
            18   15  18 1
            19   16  19 1
            20   17  20 2
            21   18  21 1
            22   18  22 1
            23   19  23 2
            24   19  24 1
            25   21  25 1
            26   23  26 1
            27   24  27 1
            28   25  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   34  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   38  39 1
            40   39  40 2
            41   39  41 1
            42   40  42 1
            43   41  43 2
            44   42  44 2
            45   20  23 1
            46   43  44 1

» Japanese version   » Back

DBGET integrated database retrieval system