KEGG   DRUG: Dilevalol hydrochlorideHelp
Entry
D01906                      Drug                                   

Name
Dilevalol hydrochloride (JAN/USAN)
Formula
C19H24N2O3. HCl
Exact mass
364.1554
Mol weight
364.8664
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antihypertensive, beta-Adrenergic receptor antagonist
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
     D01906  Dilevalol hydrochloride (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 75659-08-4
PubChem: 7848968
ChEMBL: CHEMBL1204165
LigandBox: D01906
KCF data Show

ATOM        25
            1   C8y C    13.1600  -15.8200
            2   C8y C    13.1600  -14.4200
            3   C8x C    14.3500  -13.7200
            4   C8x C    15.6100  -14.4200
            5   C8y C    15.6100  -15.8200
            6   C8x C    14.3500  -16.5200
            7   C1c C    16.8000  -16.5200
            8   C1b C    18.0600  -15.8200
            9   N1b N    19.2500  -16.5200
            10  C1c C    20.4400  -15.8200
            11  C1b C    21.7000  -16.5200
            12  C1b C    22.8900  -15.8200
            13  C8y C    24.0800  -16.5200
            14  C5a C    11.9700  -16.5200
            15  N1a N    10.7800  -15.8200
            16  O5a O    11.9700  -17.9200
            17  O1a O    11.9700  -13.7200
            18  O1a O    16.8700  -17.9200
            19  C1a C    20.4400  -14.4200
            20  C8x C    25.3400  -15.8200
            21  C8x C    26.5300  -16.5200
            22  C8x C    26.5300  -17.9200
            23  C8x C    25.3400  -18.6200
            24  C8x C    24.0800  -17.9200
            25  X   Cl   25.9000  -13.7900
BOND        25
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    1  14 1
            15   14  15 1
            16   14  16 2
            17    2  17 1
            18    7  18 1 #Down
            19   10  19 1 #Down
            20   13  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   13  24 1

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