KEGG   DRUG: BupranololHelp
Entry
D07590                      Drug                                   

Name
Bupranolol (INN)
Formula
C14H22ClNO2
Exact mass
271.1339
Mol weight
271.783
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
Remark
ATC code: 
Chemical group: 
Activity
Antiglaucoma, beta-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
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
Salivary secretion
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AA Beta blocking agents, non-selective
     C07AA19 Bupranolol
      D07590  Bupranolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Bupranolol
      D07590  Bupranolol (INN)
    beta2-adrenergic receptor
     Bupranolol
      D07590  Bupranolol (INN)
    beta3-adrenergic receptor
     Bupranolol
      D07590  Bupranolol (INN)
BRITE hierarchy
Other DBs
CAS: 
14556-46-8
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        18
            1   O2a O    18.5500  -15.6800
            2   C1b C    19.7400  -14.9800
            3   C1c C    21.0000  -15.6800
            4   C1b C    22.1900  -14.9800
            5   O1a O    21.0000  -17.0800
            6   N1b N    23.3800  -15.6800
            7   C1d C    24.6400  -14.9800
            8   C1a C    25.8300  -15.7500
            9   C1a C    24.6400  -13.5800
            10  C1a C    25.9000  -14.3500
            11  C8y C    18.5500  -17.0800
            12  C8y C    17.3600  -17.7800
            13  C8x C    17.3600  -19.1800
            14  C8x C    18.5500  -19.8800
            15  C8y C    19.7400  -19.2500
            16  C8x C    19.7400  -17.7800
            17  X   Cl   16.1700  -17.0800
            18  C1a C    21.0000  -19.9500
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1
            5     4   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1
            9     7  10 1
            10    1  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   11  16 1
            17   12  17 1
            18   15  18 1

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