KEGG   DRUG: Arotinolol hydrochloride
Entry
D01830                      Drug                                   

Name
Arotinolol hydrochloride (JP17);
Almarl (TN)
Formula
C15H21N3O2S3. HCl
Exact mass
407.0563
Mol weight
408.0021
Structure
Simcomp
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
Remark
Therapeutic category: 2123
Chemical structure group: DG01303
Product (DG01303): D01830<JP>
Efficacy
Antiarrhythmic, Antihypertensive, Vasodilator, Adrenergic receptor antagonist
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRB1 [HSA:153] [KO:K04141]
ADRB2 [HSA:154] [KO:K04142]
  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
Structure map
map07214  beta-Adrenergic receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   212  Antiarrhythmic agents
    2123  Beta blockers
     D01830  Arotinolol hydrochloride (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D01830  Arotinolol hydrochloride (JP17) <JP>
    ADRB1
     D01830  Arotinolol hydrochloride (JP17) <JP>
    ADRB2
     D01830  Arotinolol hydrochloride (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01830  Arotinolol hydrochloride
Other DBs
CAS: 68377-91-3
PubChem: 7848892
ChEBI: 31239
ChEMBL: CHEMBL3185966
LigandBox: D01830
NIKKAJI: J365.013H
LinkDB
KCF data

ATOM        24
            1   X   Cl   25.4183  -19.9577
            2   C1d C    26.1100  -13.5100
            3   C1a C    27.3000  -14.2100
            4   N1b N    24.9200  -14.2100
            5   C1a C    26.1100  -12.1100
            6   C1a C    27.3000  -12.8100
            7   C1b C    23.7300  -13.5100
            8   C1c C    22.5400  -14.2100
            9   C1b C    21.3500  -13.5100
            10  S2a S    20.1600  -14.2100
            11  O1a O    22.5400  -15.6100
            12  C8y C    20.1600  -15.6100
            13  N5x N    19.0400  -16.4500
            14  C8y C    19.4600  -17.7100
            15  C8x C    20.8600  -17.7100
            16  S2x S    21.2800  -16.4500
            17  C8y C    18.6200  -18.8300
            18  S2x S    17.2200  -18.8300
            19  C8y C    16.8000  -20.1600
            20  C8x C    17.9200  -21.0000
            21  C8x C    19.0400  -20.1600
            22  C5a C    15.4000  -20.1600
            23  O5a O    14.7000  -18.9700
            24  N1a N    14.7000  -21.3500
BOND        24
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1
            5     4   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9     8  11 1
            10   10  12 1
            11   12  13 2
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   12  16 1
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   17  21 2
            22   19  22 1
            23   22  23 2
            24   22  24 1

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