KEGG   DRUG: Bupranolol hydrochlorideHelp
Entry
D01454                      Drug                                   

Name
Bupranolol hydrochloride (JP17)
Formula
C14H22ClNO2. HCl
Exact mass
307.1106
Mol weight
308.2439
Structure
Mol fileKCF fileDB search
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: 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
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
      D01454  Bupranolol hydrochloride (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D01454  Bupranolol hydrochloride (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01454  Bupranolol hydrochloride
BRITE hierarchy
Other DBs
CAS: 15148-80-8
PubChem: 7848517
ChEBI: 31323
LigandBox: D01454
NIKKAJI: J220.534C
KCF data Show

ATOM        19
            1   X   Cl   23.1661  -21.6550
            2   O2a O    15.5189  -17.5651
            3   C1b C    16.6944  -16.8737
            4   C1c C    17.9391  -17.5651
            5   C1b C    19.1837  -16.8737
            6   O1a O    17.9391  -18.9481
            7   N1b N    20.3592  -17.5651
            8   C1d C    21.6039  -16.8737
            9   C1a C    22.7900  -17.5848
            10  C1a C    21.6267  -15.4909
            11  C1a C    22.8128  -16.2020
            12  C8y C    15.5189  -18.9651
            13  C8y C    14.3203  -19.6573
            14  C8x C    14.3205  -21.0573
            15  C8x C    15.5330  -21.7572
            16  C8y C    16.7316  -21.0650
            17  C8x C    16.7314  -19.6650
            18  X   Cl   13.1356  -18.9734
            19  C1a C    17.9451  -21.7654
BOND        18
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     4   6 1
            5     5   7 1
            6     7   8 1
            7     8   9 1
            8     8  10 1
            9     8  11 1
            10    2  12 1
            11   12  13 2
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   12  17 1
            17   13  18 1
            18   16  19 1

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