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KEGG   DRUG: Etilefrine
Entry
D07931                      Drug                                   
Name
Etilefrine (INN);
Corcanfol (TN)
Formula
C10H15NO2
Exact mass
181.1103
Mol weight
181.23
Structure
Simcomp
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01702  Phenethylamine cardiotonic
Remark
ATC code: C01CA01
Chemical structure group: DG00210
Product (DG00210): D01573<JP>
Efficacy
Antihypotensive, Cardiotonic, 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
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA01 Etilefrine
      D07931  Etilefrine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01702  Phenethylamine cardiotonic
    DG00210  Etilefrine
     D07931  Etilefrine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D07931  Etilefrine (INN)
    ADRA2
     D07931  Etilefrine (INN)
    ADRB
     D07931  Etilefrine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01702  Phenethylamine cardiotonic
    DG00210  Etilefrine
Other DBs
CAS: 709-55-7
PubChem: 96024626
LigandBox: D07931
NIKKAJI: J6.942F
LinkDB
KCF data

ATOM        13
            1   C8y C    20.5800  -17.9200
            2   C8x C    20.5800  -19.3200
            3   C8x C    21.7700  -20.0200
            4   C8x C    22.9600  -19.3200
            5   C8y C    22.9600  -17.9200
            6   C8x C    21.7700  -17.2200
            7   C1c C    24.1500  -17.2200
            8   C1b C    25.4100  -17.9200
            9   N1b N    26.6000  -17.2200
            10  C1b C    27.7900  -17.9200
            11  C1a C    29.0500  -17.2200
            12  O1a O    24.1500  -15.8200
            13  O1a O    19.3200  -17.2200
BOND        13
            1     5   7 1
            2     7   8 1
            3     1   2 2
            4     8   9 1
            5     2   3 1
            6     9  10 1
            7     3   4 2
            8    10  11 1
            9     4   5 1
            10    7  12 1
            11    5   6 2
            12    1  13 1
            13    6   1 1

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