KEGG   DRUG: Delequamine hydrochlorideHelp
Entry
D03672                      Drug                                   

Name
Delequamine hydrochloride (USAN)
Formula
C18H26N2O3S. HCl
Exact mass
386.1431
Mol weight
386.9366
Structure
Mol fileKCF fileDB search
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
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D03672  Delequamine hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 119942-75-5
PubChem: 17397768
ChEMBL: CHEMBL2106120
LigandBox: D03672
KCF data Show

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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