KEGG   DRUG: Arotinolol
Entry
D07465                      Drug                                   
Name
Arotinolol (INN)
Formula
C15H21N3O2S3
Exact mass
371.0796
Mol weight
371.5411
Structure
Simcomp
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG03180  alpha1 and beta-Adrenergic receptor antagonist
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
 DG03231  Antihypertensive
  DG03180  alpha1 and beta-Adrenergic receptor antagonist
Remark
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
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG03180  alpha1 and beta-Adrenergic receptor antagonist
    DG01303  Arotinolol
     D07465  Arotinolol
  DG01653  Antiarrhythmics
   DG01806  Class II antiarrhythmic agent
    DG01303  Arotinolol
     D07465  Arotinolol
  DG03231  Antihypertensive
   DG03180  alpha1 and beta-Adrenergic receptor antagonist
    DG01303  Arotinolol
     D07465  Arotinolol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D07465  Arotinolol (INN)
    ADRB1
     D07465  Arotinolol (INN)
    ADRB2
     D07465  Arotinolol (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG03180  alpha1 and beta-Adrenergic receptor antagonist
    DG01303  Arotinolol
  DG01653  Antiarrhythmics
   DG01806  Class II antiarrhythmic agent
    DG01303  Arotinolol
  DG03231  Antihypertensive
   DG03180  alpha1 and beta-Adrenergic receptor antagonist
    DG01303  Arotinolol
Other DBs
CAS: 68377-92-4
PubChem: 51091795
LigandBox: D07465
NIKKAJI: J252.818E
LinkDB
KCF data

ATOM        23
            1   C1d C    24.5700  -20.4400
            2   C1a C    25.7824  -21.1400
            3   N1b N    23.3576  -21.1400
            4   C1a C    24.5700  -19.0400
            5   C1a C    25.7824  -19.7400
            6   C1b C    22.1621  -20.4496
            7   C1c C    20.9747  -21.1351
            8   C1b C    19.7835  -20.4471
            9   S2a S    18.5940  -21.1338
            10  O1a O    20.9745  -22.5398
            11  C8y C    18.5940  -22.5338
            12  N5x N    17.4757  -23.3466
            13  C8y C    17.9032  -24.6613
            14  C8x C    19.2856  -24.6611
            15  S2x S    19.7126  -23.3462
            16  C8y C    17.0964  -25.7721
            17  S2x S    15.6801  -25.7726
            18  C8y C    15.2428  -27.1198
            19  C8x C    16.3889  -27.9520
            20  C8x C    17.5345  -27.1191
            21  C5a C    13.8428  -27.1198
            22  O5a O    13.1340  -25.8929
            23  N1a N    13.1601  -28.3025
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     3   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     7  10 1
            10    9  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   11  15 1
            16   13  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   16  20 2
            22   18  21 1
            23   21  22 2
            24   21  23 1

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