KEGG   DRUG: Delequamine hydrochloride
Entry
D03672                      Drug                                   

Name
Delequamine hydrochloride (USAN)
Formula
C18H26N2O3S. HCl
Exact mass
386.1431
Mol weight
386.9366
Structure
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Efficacy
Impotence therapy adjunct, alpha-Adrenergic receptor antagonist
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D03672  Delequamine hydrochloride (USAN)
Other DBs
CAS: 119942-75-5
PubChem: 17397768
ChEMBL: CHEMBL2106120
LigandBox: D03672
LinkDB
KCF data

ATOM        25
            1   C1x C    28.5233  -20.6987
            2   C1x C    28.5233  -19.2955
            3   N1y N    29.7161  -18.5939
            4   C1y C    30.9790  -19.2955
            5   C1y C    30.9790  -20.6987
            6   C1x C    29.7161  -21.4003
            7   C1x C    32.1717  -18.5939
            8   C1y C    33.3644  -19.2955
            9   N1y N    33.3644  -20.6987
            10  C1x C    32.1717  -21.4003
            11  C8y C    34.6273  -18.5939
            12  C8y C    35.8200  -19.2955
            13  C1x C    35.8200  -20.6987
            14  C1x C    34.6273  -21.4003
            15  C8x C    34.6273  -17.1907
            16  C8x C    35.8200  -16.4891
            17  C8y C    37.0128  -17.1907
            18  C8x C    37.0128  -18.5939
            19  O2a O    38.2055  -16.4891
            20  C1a C    39.3982  -17.1907
            21  S4a S    29.7688  -16.9808
            22  C1a C    29.7688  -15.5776
            23  O3c O    28.3829  -16.9893
            24  O3c O    31.1893  -17.0421
            25  X   Cl   43.6692  -19.9287
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            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    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   11  15 2
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   18  12 2
            22   17  19 1
            23   19  20 1
            24    3  21 1
            25   21  22 1
            26   21  23 2
            27   21  24 2

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