KEGG   DRUG: Zolertine hydrochloride
Entry
D06380                      Drug                                   

Name
Zolertine hydrochloride (USAN)
Formula
C13H18N6. HCl
Exact mass
294.136
Mol weight
294.7832
Structure
Efficacy
Vasodilator, alpha-Adrenergic receptor antagonist
Target
ADRA1D [HSA:146] [KO:K04137]
ADRA1A [HSA:148] [KO:K04135]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1A
     D06380  Zolertine hydrochloride (USAN)
    ADRA1D
     D06380  Zolertine hydrochloride (USAN)
Other DBs
CAS: 7241-94-3
PubChem: 47208037
ChEMBL: CHEMBL2107263
LigandBox: D06380
NIKKAJI: J244.742H
LinkDB
KCF data

ATOM        20
            1   C8x C    37.6223  -16.2772
            2   C8x C    37.6223  -14.8743
            3   C8x C    36.4299  -14.1729
            4   C8x C    35.1674  -14.8743
            5   C8y C    35.1674  -16.2772
            6   C8x C    36.4299  -16.9786
            7   N1y N    33.9749  -16.9786
            8   C1x C    32.7825  -16.2772
            9   C1x C    31.5200  -16.9786
            10  N1y N    31.5200  -18.3815
            11  C1x C    32.7124  -19.0829
            12  C1x C    33.9749  -18.3815
            13  C1b C    30.3275  -19.0829
            14  C1b C    29.1069  -18.3914
            15  C8y C    27.9231  -19.0879
            16  N4x N    26.5962  -18.6779
            17  N5x N    25.7960  -19.8106
            18  N5x N    26.6262  -20.9217
            19  N5x N    27.9393  -20.4755
            20  X   Cl   37.0612  -20.3455
BOND        21
            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    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   15  19 2

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