KEGG   DRUG: MethylephedrineHelp
Entry
D08206                      Drug                                   

Name
Methylephedrine (BAN)
Formula
C11H17NO
Exact mass
179.131
Mol weight
179.2588
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01448  alpha1-Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01451  beta1-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
   DG01453  beta3-Adrenergic receptor agonist
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
Remark
Chemical group: 
Efficacy
Bronchodilator, Adrenergic receptor agonist
Comment
Phenethylamine derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137];
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140];
ADRB1 [HSA:153] [KO:K04141];
ADRB2 [HSA:154] [KO:K04142];
ADRB3 [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretion
Interaction
Drug interaction
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Methylephedrine
    D08206  Methylephedrine (BAN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Methylephedrine
    D08206  Methylephedrine (BAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Methylephedrine
      D08206  Methylephedrine (BAN)
    alpha2-adrenergic receptor
     Methylephedrine
      D08206  Methylephedrine (BAN)
    beta1-adrenergic receptor
     Methylephedrine
      D08206  Methylephedrine (BAN)
    beta2-adrenergic receptor
     Methylephedrine
      D08206  Methylephedrine (BAN)
    beta3-adrenergic receptor
     Methylephedrine
      D08206  Methylephedrine (BAN)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived by amination reactions
   Phenylalanine derived alkaloids
    D08206  Methylephedrine (BAN)
BRITE hierarchy
Other DBs
CAS: 
552-79-4
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C8x C    22.6479  -18.3731
            2   C8x C    22.6479  -19.7757
            3   C8x C    23.8401  -20.4769
            4   C8x C    25.0322  -19.7757
            5   C8y C    25.0322  -18.3731
            6   C8x C    23.8401  -17.6718
            7   C1c C    26.2946  -17.6718
            8   C1c C    27.4868  -18.3731
            9   N1c N    28.6790  -17.6718
            10  C1a C    29.9413  -18.3731
            11  C1a C    27.4868  -19.7757
            12  O1a O    26.2946  -16.2692
            13  C1a C    28.6790  -16.2692
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    8  11 1 #Up
            12    7  12 1 #Up
            13    9  13 1

» Japanese version   » Back

DBGET integrated database retrieval system