KEGG   DRUG: D08099Help
Entry
D08099                      Drug                                   

Name
Ketanserin tartrate;
Sufrexal (TN)
Formula
C22H22FN3O3. C4H6O6
Exact mass
545.181
Mol weight
545.5136
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive;
Serotonin antagonist;
Vasodilator, peripheric
Remark
ATC code: 
Drug group: 
Target
5-HT2A-receptor antagonist [HSA:3356] [KO:K04157];
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135];
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04726  Serotonergic synapse  
 
Interaction
Drug interaction
Structure map
Serotonin receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02K OTHER ANTIHYPERTENSIVES
    C02KD Serotonin antagonists
     C02KD01 Ketanserin
      D08099  Ketanserin tartrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Ketanserin
      D08099  Ketanserin tartrate
   Histamine
    H1-receptor
     Ketanserin
      D08099  Ketanserin tartrate
   Serotonin
    5-HT2A-receptor
     Ketanserin
      D08099  Ketanserin tartrate
BRITE hierarchy
Other DBs
CAS: 
83846-83-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        39
            1   C8y C    27.7200  -15.8900
            2   C8y C    27.7200  -17.2900
            3   N4x N    26.5300  -15.1900
            4   C8x C    28.9100  -15.1900
            5   C8y C    26.5300  -17.9900
            6   C8x C    28.9100  -17.9900
            7   C8y C    25.2700  -15.8900
            8   C8x C    30.1700  -15.8900
            9   N4y N    25.2700  -17.2900
            10  O5x O    26.5300  -19.3900
            11  C8x C    30.1700  -17.2900
            12  O5x O    24.0800  -15.1900
            13  C1b C    24.0800  -17.9900
            14  C1b C    22.8900  -17.2900
            15  N1y N    21.6300  -17.9900
            16  C1x C    20.4400  -17.2900
            17  C1x C    21.6300  -19.3900
            18  C1x C    19.2500  -17.9900
            19  C1x C    20.4400  -20.0900
            20  C1y C    19.2500  -19.3900
            21  C5a C    17.9900  -20.0900
            22  O5a O    17.9900  -21.4900
            23  C8y C    16.8000  -19.3900
            24  C8x C    16.8000  -17.9900
            25  C8x C    15.6100  -17.2900
            26  C8y C    14.4200  -17.9900
            27  C8x C    14.4200  -19.3900
            28  C8x C    15.6100  -20.0900
            29  X   F    13.1600  -17.2900
            30  O6a O    33.4600  -18.6900
            31  C6a C    34.6500  -17.9900
            32  C1c C    35.9100  -18.6900
            33  C1c C    37.1000  -17.9900
            34  C6a C    38.2900  -18.6900
            35  O6a O    39.5500  -17.9900
            36  O6a O    34.6500  -16.5900
            37  O6a O    38.2900  -20.0900
            38  O1a O    35.9100  -20.0900
            39  O1a O    37.1000  -16.5900
BOND        41
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 2
            12    9  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    7   9 1
            21    8  11 2
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   21  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   26  29 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   31  36 2
            39   34  37 2
            40   32  38 1 #Up
            41   33  39 1 #Up

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