KEGG   DRUG: L-Methylephedrine hydrochlorideHelp
Entry
D01952                      Drug                                   

Name
L-Methylephedrine hydrochloride (JAN)
Formula
C11H17NO. HCl
Exact mass
215.1077
Mol weight
215.7197
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
Vascular smooth muscle contraction
Salivary secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Methylephedrine
      D01952  L-Methylephedrine hydrochloride (JAN)
    alpha2-adrenergic receptor
     Methylephedrine
      D01952  L-Methylephedrine hydrochloride (JAN)
    beta1-adrenergic receptor
     Methylephedrine
      D01952  L-Methylephedrine hydrochloride (JAN)
    beta2-adrenergic receptor
     Methylephedrine
      D01952  L-Methylephedrine hydrochloride (JAN)
    beta3-adrenergic receptor
     Methylephedrine
      D01952  L-Methylephedrine hydrochloride (JAN)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived by amination reactions
   Phenylalanine derived alkaloids
    D01952  L-Methylephedrine hydrochloride (JAN)
BRITE hierarchy
Other DBs
CAS: 
38455-90-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        14
            1   C8x C    26.1800  -17.1500
            2   C8x C    26.1800  -18.5500
            3   C8x C    27.3700  -19.3200
            4   C8x C    28.5600  -18.5500
            5   C8y C    28.5600  -17.1500
            6   C8x C    27.3700  -16.4500
            7   C1c C    29.8200  -16.4500
            8   C1c C    31.0100  -17.1500
            9   N1c N    32.2000  -16.4500
            10  C1a C    33.4600  -17.1500
            11  C1a C    31.0100  -18.5500
            12  O1a O    29.8200  -15.0500
            13  C1a C    32.2000  -15.0500
            14  X   Cl   37.9400  -16.9400
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

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