KEGG   DRUG: EtilefrineHelp
Entry
D07931                      Drug                                   

Name
Etilefrine (INN);
Corcanfol (TN)
Formula
C10H15NO2
Exact mass
181.1103
Mol weight
181.2316
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01702  Phenethylamine cardiotonic
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01448  alpha1-Adrenergic receptor agonist
    DG01654  alpha1-Adrenergic receptor specific agonist
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
Drug 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)
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)
BRITE hierarchy
Other DBs
CAS: 709-55-7
PubChem: 96024626
ChEMBL: CHEMBL86882
LigandBox: D07931
NIKKAJI: J6.942F
LinkDB All DBs
KCF data Show

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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