KEGG   DRUG: AdrenaloneHelp
Entry
D02774                      Drug                                   

Name
Adrenalone (USAN/INN)
Formula
C9H11NO3
Exact mass
181.0739
Mol weight
181.1885
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01448  alpha1-Adrenergic receptor agonist
    DG01654  alpha1-Adrenergic receptor specific agonist
 DG01951  Catecholamine adrenergic receptor agonist
Remark
ATC code: A01AD06 B02BC05
Chemical structure group: DG00016
Efficacy
Hemostatic, Vasoconstrictor, Adrenergic receptor agonist
Comment
Catecholamine derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AD Other agents for local oral treatment
     A01AD06 Adrenalone
      D02774  Adrenalone (USAN/INN)
 B BLOOD AND BLOOD FORMING ORGANS
  B02 ANTIHEMORRHAGICS
   B02B VITAMIN K AND OTHER HEMOSTATICS
    B02BC Local hemostatics
     B02BC05 Adrenalone
      D02774  Adrenalone (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D02774  Adrenalone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 99-45-6
PubChem: 17396932
ChEMBL: CHEMBL2103996
LigandBox: D02774
NIKKAJI: J4.970K
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8y C     8.8900  -26.3900
            2   C8y C     8.8900  -27.7900
            3   C8x C    10.1024  -28.4900
            4   C8x C    11.3149  -27.7900
            5   C8y C    11.3149  -26.3900
            6   C8x C    10.1024  -25.6900
            7   O1a O     7.6776  -25.6900
            8   O1a O     7.6776  -28.4900
            9   C1b C    13.7397  -26.3900
            10  C5a C    12.5273  -25.6900
            11  O5a O    12.5273  -24.2900
            12  C1a C    16.1646  -26.3900
            13  N1b N    14.9522  -25.6900
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     1   7 1
            8     2   8 1
            9     9  10 1
            10    5  10 1
            11   10  11 2
            12   12  13 1
            13    9  13 1

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