KEGG   DRUG: Bupranolol
Entry
D07590                      Drug                                   
Name
Bupranolol (INN)
Formula
C14H22ClNO2
Exact mass
271.1339
Mol weight
271.78
Structure
Simcomp
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
Remark
ATC code: C07AA19
Chemical structure group: DG00311
Efficacy
Antiglaucoma, beta-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
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)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
    DG00311  Bupranolol
     D07590  Bupranolol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D07590  Bupranolol (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
    DG00311  Bupranolol
Other DBs
CAS: 14556-46-8
PubChem: 51091902
LigandBox: D07590
NIKKAJI: J8.508A
LinkDB
KCF data

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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