KEGG   DRUG: Centhaquine citrate
Entry
D11975                      Drug                                   
Name
Centhaquine citrate (USAN)
Formula
C22H25N3. C6H8O7
Exact mass
523.2319
Mol weight
523.5775
Structure
Remark
Chemical structure group: DG03144
Efficacy
Resuscitative agent
Comment
Treatment of 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
     D11975  Centhaquine citrate (USAN)
Other DBs
CAS: 1480809-77-5
LinkDB
KCF data

ATOM        38
            1   C8y C    13.2219  -14.8394
            2   C8y C    13.2219  -13.4328
            3   C8x C    14.4174  -12.7296
            4   C8x C    15.6130  -13.4328
            5   C8y C    15.6130  -14.8394
            6   N5x N    14.4174  -15.5427
            7   C8x C    12.0263  -15.5427
            8   C8x C    10.7604  -14.8394
            9   C8x C    10.7604  -13.4328
            10  C8x C    12.0263  -12.7296
            11  C1b C    16.8086  -15.5427
            12  C1b C    18.0041  -14.8394
            13  N1y N    19.1997  -15.5427
            14  C1x C    20.3952  -14.8394
            15  C1x C    21.6611  -15.5427
            16  N1y N    21.6611  -16.9492
            17  C1x C    20.4656  -17.6525
            18  C1x C    19.1997  -16.9492
            19  C8y C    22.8567  -17.6525
            20  C8x C    24.0523  -16.9492
            21  C8y C    25.3182  -17.6525
            22  C8x C    25.3182  -18.9887
            23  C8x C    24.1226  -19.6920
            24  C8x C    22.8567  -18.9887
            25  C1a C    26.5137  -16.9492
            26  C1d C    33.6056  -15.8930
            27  C1b C    32.4854  -16.5931
            28  C1b C    34.7959  -16.5931
            29  C6a C    34.3058  -14.7728
            30  O1a O    32.9055  -14.7728
            31  C6a C    31.2952  -15.9630
            32  C6a C    34.7959  -17.9934
            33  O6a O    33.6056  -13.5825
            34  O6a O    35.8461  -14.7728
            35  O6a O    30.0349  -16.6632
            36  O6a O    31.2952  -14.6327
            37  O6a O    36.1962  -18.7636
            38  O6a O    33.6056  -18.7636
BOND        40
            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
            29   26  27 1
            30   26  28 1
            31   26  29 1
            32   26  30 1
            33   27  31 1
            34   28  32 1
            35   29  33 1
            36   29  34 2
            37   31  35 1
            38   31  36 2
            39   32  37 1
            40   32  38 2

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