KEGG   DRUG: Dexpropranolol hydrochlorideHelp
Entry
D03729                      Drug                                   

Name
Dexpropranolol hydrochloride (USAN)
Formula
C16H21NO2. HCl
Exact mass
295.1339
Mol weight
295.8044
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic 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
Cyp substrate
 DG01892  CYP1A2 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Efficacy
Antiarrhythmic, Cardiac depressant, beta-Adrenergic receptor antagonist
Comment
Class II antiarrhythmic agent
See Propranolol [DR:D08443]
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
hsa04970  Salivary secretion
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP2C19 [HSA:1557], CYP2D6 [HSA:1565], CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Interaction
Drug interaction
Structure map
map07114  Naphthalene family
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D03729  Dexpropranolol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 13071-11-9
PubChem: 17397818
ChEBI: 51161
ChEMBL: CHEMBL1358662
LigandBox: D03729
NIKKAJI: J237.776D
KCF data Show

ATOM        20
            1   C8x C    19.9417  -19.4715
            2   C8x C    19.9417  -20.8791
            3   C8x C    21.1607  -21.5830
            4   C8y C    22.3798  -20.8791
            5   C8y C    22.3798  -19.4715
            6   C8x C    21.1607  -18.7676
            7   C8x C    23.5988  -21.5830
            8   C8x C    24.8179  -20.8791
            9   C8x C    24.8179  -19.4715
            10  C8y C    23.5988  -18.7676
            11  O2a O    23.5988  -17.3600
            12  C1b C    24.8200  -16.6550
            13  C1c C    26.0231  -17.3498
            14  C1b C    27.2163  -16.6608
            15  N1b N    28.4143  -17.3528
            16  C1c C    29.6102  -16.6623
            17  C1a C    30.8069  -17.3535
            18  C1a C    29.6104  -15.2487
            19  O1a O    26.0228  -18.7210
            20  X   Cl   30.8000  -20.8600
BOND        20
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 1
            20   13  19 1 #Up

» Japanese version   » Back

DBGET integrated database retrieval system