KEGG   DRUG: D01830Help
Entry
D01830                      Drug                                   
Name
Arotinolol hydrochloride (JP16);
Almarl (TN)
Formula
C15H21N3O2S3. HCl
Exact mass
407.0563
Mol weight
408.0021
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive
Remark
Therapeutic category: 
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
hsa04270  Vascular smooth muscle contraction
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Structure map
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 (JP16)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor [HSA:146 147 148] [KO:K04137 K04136 K04135]
     Arotinolol
      D01830  Arotinolol hydrochloride (JP16)
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Arotinolol
      D01830  Arotinolol hydrochloride (JP16)
    beta2-adrenergic receptor [HSA:154] [KO:K04142]
     Arotinolol
      D01830  Arotinolol hydrochloride (JP16)
    beta3-adrenergic receptor [HSA:155] [KO:K04143]
     Arotinolol
      D01830  Arotinolol hydrochloride (JP16)
BRITE hierarchy
Other DBs
CAS: 
68377-91-3
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8x C    16.4881  -17.5839
            2   C8y C    16.9242  -16.2521
            3   S2x S    15.7875  -15.4255
            4   C8y C    14.6509  -16.2521
            5   C8x C    15.0869  -17.5839
            6   C8y C    18.2573  -15.8211
            7   N5x N    19.3941  -16.6555
            8   C8y C    20.5288  -15.8335
            9   S2x S    20.0976  -14.5004
            10  C8x C    18.6964  -14.4983
            11  S2a S    21.7320  -16.5224
            12  C1b C    22.9421  -15.8218
            13  C1c C    24.1522  -16.5152
            14  C1b C    25.3623  -15.8146
            15  N1b N    26.5725  -16.5083
            16  C1d C    27.7826  -15.8077
            17  C1a C    28.9927  -16.5011
            18  O1a O    24.1553  -17.9164
            19  C1a C    28.9927  -15.0999
            20  C5a C    13.3176  -15.8209
            21  O5a O    13.0245  -14.4508
            22  N1a N    12.2777  -16.7600
            23  C1a C    27.7826  -14.4077
            24  X   Cl   32.0640  -16.1755
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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