KEGG   DRUG: TilisololHelp
Entry
D08598                      Drug                                   

Name
Tilisolol (INN)
Formula
C17H24N2O3
Exact mass
304.1787
Mol weight
304.3841
Structure
Mol fileKCF fileDB searchJmolKegDraw
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
Chemical group: 
Activity
Anti-anginal, Antihypertensive, beta-Adrenergic receptor antagonist
Target
ADRB1 [HSA:153] [KO:K04141];
ADRB2 [HSA:154] [KO:K04142];
ADRB3 [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Tilisolol
      D08598  Tilisolol (INN)
    beta2-adrenergic receptor
     Tilisolol
      D08598  Tilisolol (INN)
    beta3-adrenergic receptor
     Tilisolol
      D08598  Tilisolol (INN)
BRITE hierarchy
Other DBs
CAS: 
85136-71-6
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8x C    17.9900  -19.6700
            2   C8x C    17.9900  -18.2700
            3   C8x C    19.1800  -17.5700
            4   C8x C    19.1800  -20.3700
            5   C8y C    20.3700  -19.6700
            6   C8y C    20.3700  -18.2700
            7   C8y C    21.6300  -17.5700
            8   C8x C    22.8200  -18.2700
            9   N4y N    22.8200  -19.6700
            10  C8y C    21.6300  -20.3700
            11  O5x O    21.6300  -21.7700
            12  O2a O    21.6300  -16.1700
            13  C1b C    22.8200  -15.4700
            14  C1c C    24.0100  -16.1700
            15  C1b C    25.2700  -15.4700
            16  N1b N    26.4600  -16.1700
            17  C1d C    27.6500  -15.5400
            18  O1a O    24.0100  -17.5700
            19  C1a C    27.6500  -14.1400
            20  C1a C    28.9100  -16.2400
            21  C1a C    28.9100  -14.8400
            22  C1a C    24.0800  -20.3700
BOND        23
            1     4   1 1
            2    10  11 2
            3     7  12 1
            4    12  13 1
            5     1   2 2
            6    13  14 1
            7     2   3 1
            8    14  15 1
            9     3   6 2
            10   15  16 1
            11    5   4 2
            12   16  17 1
            13    5   6 1
            14   14  18 1
            15    6   7 1
            16   17  19 1
            17    7   8 2
            18   17  20 1
            19    8   9 1
            20   17  21 1
            21    9  10 1
            22    9  22 1
            23   10   5 1

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