KEGG   DRUG: Exaprolol hydrochlorideHelp
Entry
D04120                      Drug                                   

Name
Exaprolol hydrochloride (USAN)
Formula
C18H29NO2. HCl
Exact mass
327.1965
Mol weight
327.8893
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antihypertensive, beta-Adrenergic receptor antagonist
Comment
Propranolol derivative
Anti-adrenergic (beta-receptor)
Target
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D04120  Exaprolol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 59333-90-3
PubChem: 47206068
ChEMBL: CHEMBL2106276
LigandBox: D04120
NIKKAJI: J447.381G
KCF data Show

ATOM        22
            1   O2a O    15.2612  -17.9872
            2   C1b C    16.4706  -17.2890
            3   C1c C    17.6571  -17.9742
            4   C1b C    18.8554  -17.2825
            5   O1a O    17.6571  -19.3809
            6   N1b N    20.0475  -17.9709
            7   C1c C    21.2428  -17.2808
            8   C1a C    22.4364  -17.9700
            9   C1a C    21.2430  -15.8690
            10  C8y C    15.2610  -19.3900
            11  C8y C    14.0477  -20.0903
            12  C8x C    14.0476  -21.4903
            13  C8x C    15.2600  -22.1904
            14  C8x C    16.4732  -21.4901
            15  C8x C    16.4734  -20.0901
            16  C1y C    12.8521  -19.3996
            17  C1x C    12.8522  -17.9903
            18  C1x C    11.6398  -17.2902
            19  C1x C    10.4273  -17.9901
            20  C1x C    10.4272  -19.3994
            21  C1x C    11.6396  -20.0995
            22  X   Cl   22.5619  -21.7521
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1
            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   11  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   16  21 1

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