KEGG   DRUG: D05395Help
Entry
D05395                      Drug                                   

Name
Pelanserin hydrochloride (USAN)
Formula
C21H24N4O2. HCl
Exact mass
400.1666
Mol weight
400.9018
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive;
Vasodilator [serotonin S2 and alpha1 adrenergic receptor blocker]
Target
5-HT2-receptor antagonist [HSA:3356 3357 3358] [KO:K04157];
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04726  Serotonergic synapse  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Pelanserin
      D05395  Pelanserin hydrochloride (USAN)
   Serotonin
    5-HT2-receptor
     Pelanserin
      D05395  Pelanserin hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
42877-18-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8x C     7.5600  -17.0800
            2   C8x C     7.5600  -18.4800
            3   C8x C     8.7724  -19.1800
            4   C8y C     9.9849  -18.4800
            5   C8y C     9.9849  -17.0800
            6   C8x C     8.7724  -16.3800
            7   C8y C    11.1973  -19.1800
            8   N4y N    12.4097  -18.4800
            9   C8y C    12.4097  -17.0800
            10  N4x N    11.1973  -16.3800
            11  O5x O    13.6073  -16.3885
            12  O5x O    11.1973  -20.5800
            13  C1b C    13.6073  -19.1715
            14  C1b C    14.7956  -18.4855
            15  C1b C    15.9864  -19.1731
            16  N1y N    17.1760  -18.4863
            17  C1x C    18.3661  -19.1735
            18  C1x C    19.5786  -18.4737
            19  N1y N    19.5788  -17.0737
            20  C1x C    18.3887  -16.3864
            21  C1x C    17.1762  -17.0863
            22  C8y C    20.8043  -16.3661
            23  C8x C    22.0119  -17.0633
            24  C8x C    23.2244  -16.3634
            25  C8x C    23.2244  -14.9634
            26  C8x C    22.0168  -14.2661
            27  C8x C    20.8043  -14.9661
            28  X   Cl   22.9600  -19.8100
BOND        30
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 2
            13    7  12 2
            14    8  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1
            24   19  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1

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