KEGG   DRUG: TertatololHelp
Entry
D07182                      Drug                                   

Name
Tertatolol (INN)
Formula
C16H25NO2S
Exact mass
295.1606
Mol weight
295.4402
Structure
Mol fileKCF fileDB search
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
Remark
ATC code: C07AA16
Chemical structure group: DG00309
Efficacy
Antiarrhythmic, Antihypertensive, beta-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  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
     C07AA16 Tertatolol
      D07182  Tertatolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D07182  Tertatolol (INN)
BRITE hierarchy
Other DBs
CAS: 34784-64-0
PubChem: 51091520
ChEMBL: CHEMBL434200
LigandBox: D07182
NIKKAJI: J311.464C
KCF data Show

ATOM        20
            1   C8x C    18.1300  -17.0800
            2   C8x C    18.1300  -18.4800
            3   C8x C    16.8700  -19.1800
            4   C8y C    15.6800  -18.4800
            5   C8y C    15.6800  -17.0800
            6   C8y C    16.8700  -16.3800
            7   C1x C    14.4900  -19.2500
            8   C1x C    13.2300  -18.5500
            9   C1x C    13.2300  -17.1500
            10  S2x S    14.4200  -16.3800
            11  O2a O    16.8700  -15.0500
            12  C1b C    18.0600  -14.3500
            13  C1c C    19.2500  -15.0500
            14  C1b C    20.5100  -14.3500
            15  N1b N    21.7000  -15.0500
            16  O1a O    19.2500  -16.3800
            17  C1d C    22.9181  -14.3599
            18  C1a C    24.0995  -15.0550
            19  C1a C    22.8598  -12.9506
            20  C1a C    24.1305  -13.6599
BOND        21
            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 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    6  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   13  16 1
            18   15  17 1
            19   17  18 1
            20   17  19 1
            21   17  20 1

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