KEGG   DRUG: D06394Help
Entry
D06394                      Drug                                   

Name
Dabuzalgron hydrochloride (USAN)
Formula
C12H16ClN3O3S. HCl
Exact mass
353.0368
Mol weight
354.2527
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of stress urinary incontinence
Target
alpha1A/1L-adrenergic receptor partial agonist [HSA:148] [KO:K04135]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1a-adrenergic receptor
     Dabuzalgron
      D06394  Dabuzalgron hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
219311-43-0
PubChem: 
LigandBox: 
KCF data Show

ATOM        21
            1   C8y C    12.1100  -13.8600
            2   C8y C    12.1100  -15.2600
            3   C8x C    13.3224  -15.9600
            4   C8x C    14.5349  -15.2600
            5   C8y C    14.5349  -13.8600
            6   C8y C    13.3224  -13.1600
            7   N1b N    10.8976  -13.1600
            8   S4a S     9.7021  -13.8504
            9   C1a C     8.4896  -14.5504
            10  O3c O    10.4129  -15.0821
            11  O3c O     9.0135  -12.6573
            12  C1a C    13.3224  -11.7602
            13  X   Cl   10.8976  -15.9600
            14  O2a O    15.7660  -13.1490
            15  C1b C    16.9712  -13.8447
            16  C2y C    18.1535  -13.1619
            17  N2x N    18.1535  -11.7619
            18  N1x N    19.4850  -13.5945
            19  C1x C    20.3079  -12.4619
            20  C1x C    19.4850  -11.3292
            21  X   Cl   22.7500  -13.8600
BOND        21
            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     7   8 1
            9     8   9 1
            10    8  10 2
            11    8  11 2
            12    6  12 1
            13    2  13 1
            14    5  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 2
            18   16  18 1
            19   18  19 1
            20   19  20 1
            21   17  20 1

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