KEGG   DRUG: Esatenolol
Entry
D01471                      Drug                                   
Name
Esatenolol (JAN/INN);
(S)-Atenolol
Formula
C14H22N2O3
Exact mass
266.163
Mol weight
266.3361
Structure
Simcomp
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
   DG01461  beta1-Adrenergic receptor antagonist
Remark
ATC code: C07AB11
Efficacy
Antiarrhythmic, Antihypertensive, Vasodilator, beta1-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
ADRB1 [HSA:153] [KO:K04141]
  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
    C07AB Beta blocking agents, selective
     C07AB11 S-atenolol
      D01471  Esatenolol (JAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
    DG01461  beta1-Adrenergic receptor antagonist
     D01471  Esatenolol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D01471  Esatenolol (JAN/INN)
Other DBs
CAS: 93379-54-5
PubChem: 7848534
ChEBI: 31556
LigandBox: D01471
KCF data

ATOM        19
            1   O2a O    18.6183  -16.9083
            2   C1b C    19.8213  -16.1995
            3   C1c C    21.0417  -16.8794
            4   C1b C    22.2445  -16.1703
            5   O1a O    21.0591  -18.2741
            6   N1b N    23.4533  -16.8503
            7   C1c C    24.6562  -16.1355
            8   C1a C    25.8765  -16.8155
            9   C1a C    24.6387  -14.7408
            10  C8y C    18.6183  -18.3083
            11  C8x C    17.3935  -19.0151
            12  C8x C    17.3932  -20.4151
            13  C8y C    18.6055  -21.1154
            14  C8x C    19.8303  -20.4086
            15  C8x C    19.8306  -19.0086
            16  C1b C    18.6050  -22.5399
            17  C5a C    17.4036  -23.2330
            18  N1a N    16.2143  -22.5457
            19  O5a O    17.4029  -24.6397
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1 #Down
            5     4   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1
            9     1  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   10  15 1
            16   13  16 1
            17   16  17 1
            18   17  18 1
            19   17  19 2

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