KEGG   DRUG: AmosulalolHelp
Entry
D07451                      Drug                                   

Name
Amosulalol (INN)
Formula
C18H24N2O5S
Exact mass
380.1406
Mol weight
380.4586
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular 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
Chemical group: 
Activity
Antihypertansive, alpha1/beta-Adrenergic receptor antagonist
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137];
ADRB1 [HSA:153] [KO:K04141];
ADRB2 [HSA:154] [KO:K04142];
ADRB3 [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretion
Interaction
Drug interaction
Structure map
beta-Adrenergic receptor agonists/antagonists
alpha-Adrenergic receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Amosulalol
      D07451  Amosulalol (INN)
    beta1-adrenergic receptor
     Amosulalol
      D07451  Amosulalol (INN)
    beta2-adrenergic receptor
     Amosulalol
      D07451  Amosulalol (INN)
    beta3-adrenergic receptor
     Amosulalol
      D07451  Amosulalol (INN)
BRITE hierarchy
Other DBs
CAS: 
85320-68-9
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8y C    18.1300  -17.5700
            2   C8x C    18.1300  -18.9700
            3   C8x C    19.3900  -19.6700
            4   C8y C    20.5800  -18.9700
            5   C8x C    20.5800  -17.5700
            6   C8y C    19.3900  -16.8700
            7   C1a C    16.9400  -16.8700
            8   S4a S    19.3900  -15.4700
            9   N1a N    19.3900  -14.0700
            10  O3c O    17.9200  -15.4700
            11  O3c O    20.7200  -15.4700
            12  C1c C    21.8400  -19.6700
            13  C1b C    23.0300  -18.9700
            14  O1a O    21.8400  -21.0700
            15  N1b N    24.2200  -19.6700
            16  C1b C    25.4100  -18.9700
            17  C1b C    26.6000  -19.6700
            18  O2a O    27.7900  -18.9700
            19  C8y C    28.9800  -19.6700
            20  C8y C    28.9800  -21.0700
            21  C8x C    30.2400  -21.7700
            22  C8x C    31.4300  -21.0700
            23  C8x C    31.4300  -19.6700
            24  C8x C    30.2400  -18.9700
            25  O2a O    27.7900  -21.8400
            26  C1a C    26.5300  -21.1400
BOND        27
            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     6   8 1
            9     8   9 1
            10    8  10 2
            11    8  11 2
            12    4  12 1
            13   12  13 1
            14   12  14 1
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   20  25 1
            27   25  26 1

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