KEGG   DRUG: D05792Help
Entry
D05792                      Drug                                   

Name
Salmeterol (USAN/INN)
Formula
C25H37NO4
Exact mass
415.2723
Mol weight
415.5656
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator [DS:H00079]
Remark
Same as: 
ATC code: 
Drug group: 
Comment
long-acting beta-adrenoceptor agonist (LABA)
Target
beta2-adrenergic receptor agonist [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04144  Endocytosis
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
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
      D05792  Salmeterol (USAN/INN)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Bronchodilators, Sympathomimetic
   Salmeterol
    D05792  Salmeterol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Salmeterol
      D05792  Salmeterol (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Salmeterol
    D05792  Salmeterol (USAN/INN)
  CYP3A5
   Salmeterol
    D05792  Salmeterol (USAN/INN)
  CYP3A7
   Salmeterol
    D05792  Salmeterol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
89365-50-4
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C8y C    10.7800  -15.8200
            2   C8x C     9.5900  -16.5200
            3   C8x C    10.7800  -14.4200
            4   C1c C    11.9700  -16.5200
            5   C8y C     8.3300  -15.8200
            6   C8x C     9.5900  -13.7200
            7   C1b C    13.1600  -15.8200
            8   O1a O    11.9700  -17.9200
            9   C8y C     8.3300  -14.4200
            10  C1b C     7.1400  -16.5200
            11  N1b N    14.4200  -16.5200
            12  O1a O     7.1400  -13.7200
            13  O1a O     5.8800  -15.8200
            14  C1b C    15.6100  -15.8200
            15  C1b C    16.8000  -16.5200
            16  C1b C    18.0600  -15.8200
            17  C1b C    19.2500  -16.5200
            18  C1b C    20.4400  -15.8200
            19  C1b C    21.6300  -16.5200
            20  O2a O    22.8900  -15.8900
            21  C1b C    24.0800  -16.5900
            22  C1b C    25.2700  -15.8900
            23  C1b C    26.5300  -16.5900
            24  C1b C    27.7200  -15.8900
            25  C8y C    28.9100  -16.5900
            26  C8x C    30.1700  -15.8900
            27  C8x C    28.9100  -17.9900
            28  C8x C    31.3600  -16.5900
            29  C8x C    30.1000  -18.6900
            30  C8x C    31.3600  -17.9900
BOND        31
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 2
            26   25  27 1
            27   26  28 1
            28   27  29 2
            29   28  30 2
            30    6   9 1
            31   29  30 1

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