KEGG   DRUG: Methylephedrine
Entry
D08206                      Drug                                   

Name
Methylephedrine (BAN)
Formula
C11H17NO
Exact mass
179.131
Mol weight
179.2588
Structure
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 structure group: DG01229
Product (DG01229): D02109<JP>
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]
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
hsa04970  Salivary secretion
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
    ADRA1
     D08206  Methylephedrine (BAN)
    ADRA2
     D08206  Methylephedrine (BAN)
    ADRB
     D08206  Methylephedrine (BAN)
Other DBs
CAS: 552-79-4
PubChem: 96024894
ChEMBL: CHEMBL1589978 CHEMBL445001
LigandBox: D08206
NIKKAJI: J21.604F
LinkDB
KCF data

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