KEGG   DRUG: D07465Help
Entry
D07465                      Drug                                   

Name
Arotinolol (INN)
Formula
C15H21N3O2S3
Exact mass
371.0796
Mol weight
371.5411
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiarrhythmic
Remark
Drug group: 
Target
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135];
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141];
beta2-adrenergic receptor antagonist [HSA:154] [KO:K04142];
beta3-adrenergic receptor antagonist [HSA:155] [KO:K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Structure map
beta-Adrenergic receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Arotinolol
      D07465  Arotinolol (INN)
    beta1-adrenergic receptor
     Arotinolol
      D07465  Arotinolol (INN)
    beta2-adrenergic receptor
     Arotinolol
      D07465  Arotinolol (INN)
    beta3-adrenergic receptor
     Arotinolol
      D07465  Arotinolol (INN)
BRITE hierarchy
Other DBs
CAS: 
68377-92-4
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8x C    22.8200  -19.8100
            2   C8y C    23.2400  -18.4800
            3   S2x S    22.1200  -17.6400
            4   C8y C    20.9300  -18.4800
            5   C8x C    21.4200  -19.8100
            6   C8y C    24.5700  -18.0600
            7   N5x N    25.6900  -18.9000
            8   C8y C    26.8100  -18.0600
            9   S2x S    26.3900  -16.7300
            10  C8x C    24.9900  -16.7300
            11  S2a S    28.0000  -18.7600
            12  C1b C    29.2600  -18.0600
            13  C1c C    30.4500  -18.7600
            14  C1b C    31.6400  -18.0600
            15  N1b N    32.9000  -18.7600
            16  C1d C    34.0900  -18.0600
            17  C1a C    35.2800  -18.7600
            18  O1a O    30.4500  -20.1600
            19  C1a C    35.2800  -17.3600
            20  C5a C    19.6000  -18.0600
            21  O5a O    19.3200  -16.6600
            22  N1a N    18.5500  -18.9700
            23  C1a C    34.0900  -16.6600
BOND        24
            1     8  11 1
            2     5   1 1
            3    11  12 1
            4    12  13 1
            5     2   6 1
            6    13  14 1
            7    14  15 1
            8     1   2 2
            9    15  16 1
            10    2   3 1
            11   16  17 1
            12    3   4 1
            13   13  18 1
            14    6   7 1
            15   16  19 1
            16    7   8 2
            17    8   9 1
            18    4  20 1
            19    9  10 1
            20   20  21 2
            21   10   6 2
            22   20  22 1
            23    4   5 2
            24   16  23 1

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