KEGG   DRUG: Bunazosin hydrochlorideHelp
Entry
D01887                      Drug                                   

Name
Bunazosin hydrochloride (JP17);
Detantol (TN)
Formula
C19H27N5O3. HCl
Exact mass
409.1881
Mol weight
409.9103
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
Remark
Therapeutic category: 1319 2149
Chemical structure group: DG01316
Product (DG01316): D01887<JP>
Efficacy
Antiglaucoma, Antihypertensive, alpha1-Adrenergic receptor antagonist
Comment
Prazosin derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04970  Salivary secretion
Interaction
Drug interaction
Structure map
map07054  Antiglaucoma agents
map07215  alpha-Adrenergic receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D01887  Bunazosin hydrochloride (JP17)
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D01887  Bunazosin hydrochloride (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D01887  Bunazosin hydrochloride (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01887  Bunazosin hydrochloride
Drug classes of therapeutic agents [br08360.html]
 Cardiovascular agents
  D01887
BRITE hierarchy
Other DBs
CAS: 52712-76-2
PubChem: 7848949
ChEBI: 31320
ChEMBL: CHEMBL3182014
LigandBox: D01887
NIKKAJI: J245.465C
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8y C    27.9136  -16.0282
            2   C8y C    27.9136  -17.4318
            3   C8x C    26.6951  -18.1336
            4   C8x C    26.6951  -15.3264
            5   C8y C    25.4837  -16.0282
            6   C8y C    25.4897  -17.4318
            7   C8y C    24.2771  -18.1387
            8   N5x N    23.0586  -17.4421
            9   C8y C    23.0527  -16.0386
            10  N5x N    24.2652  -15.3315
            11  N1y N    21.8342  -15.3419
            12  C1x C    21.8344  -13.9492
            13  C1x C    20.8946  -12.9945
            14  C1x C    20.6712  -16.1391
            15  N1y N    19.5086  -13.2011
            16  C1x C    19.3269  -15.7273
            17  C1x C    18.8144  -14.4187
            18  C5a C    18.8185  -11.9875
            19  C1b C    17.4219  -11.9875
            20  C1b C    16.7272  -10.7753
            21  C1a C    15.3308  -10.7753
            22  O5a O    19.5243  -10.7743
            23  O2a O    29.1288  -15.3257
            24  C1a C    30.3446  -16.0268
            25  O2a O    29.1288  -18.1341
            26  C1a C    30.3446  -17.4330
            27  N1a N    24.2831  -19.5423
            28  X   Cl   17.6363  -18.0733
BOND        29
            1    12  13 1
            2     1   2 2
            3    11  14 1
            4     2   3 1
            5    13  15 1
            6     3   6 2
            7    14  16 1
            8     5   4 2
            9    15  17 1
            10   16  17 1
            11    5   6 1
            12   15  18 1
            13    6   7 1
            14   18  19 1
            15    7   8 2
            16   19  20 1
            17    8   9 1
            18   20  21 1
            19    9  10 2
            20   18  22 2
            21   10   5 1
            22    1  23 1
            23    4   1 1
            24   23  24 1
            25    9  11 1
            26    2  25 1
            27   25  26 1
            28   11  12 1
            29    7  27 1

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