KEGG   DRUG: Centhaquine
Entry
D11974                      Drug                                   
Name
Centhaquine (USAN)
Formula
C22H25N3
Exact mass
331.2048
Mol weight
331.454
Structure
Remark
Chemical structure group: DG03144
Efficacy
Resuscitative agent
Comment
Treatment for patients with hypovolemic shock
Target
EDNR [HSA:1909 1910] [KO:K04197 K04198]
  Pathway
hsa04022  cGMP-PKG signaling 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
   Endothelin
    EDNR
     D11974  Centhaquine (USAN)
Other DBs
CAS: 57961-90-7
LinkDB
KCF data

ATOM        25
            1   C8y C    15.6800  -13.5800
            2   C8y C    15.6800  -12.1800
            3   C8x C    16.8700  -11.4800
            4   C8x C    18.1300  -12.1800
            5   C8y C    18.1300  -13.5800
            6   N5x N    16.8700  -14.2800
            7   C8x C    14.4900  -14.2800
            8   C8x C    13.2300  -13.5800
            9   C8x C    13.2300  -12.1800
            10  C8x C    14.4900  -11.4800
            11  C1b C    19.3200  -14.2800
            12  C1b C    20.5100  -13.5800
            13  N1y N    21.7000  -14.2800
            14  C1x C    22.8900  -13.5800
            15  C1x C    24.1500  -14.2800
            16  N1y N    24.1500  -15.6800
            17  C1x C    22.9600  -16.3800
            18  C1x C    21.7000  -15.6800
            19  C8y C    25.3400  -16.3800
            20  C8x C    26.5300  -15.6800
            21  C8y C    27.7900  -16.3800
            22  C8x C    27.7900  -17.7800
            23  C8x C    26.6000  -18.4800
            24  C8x C    25.3400  -17.7800
            25  C1a C    28.9800  -15.6800
BOND        28
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    5  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   16  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1
            28   21  25 1

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