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  
 
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    23.2400  -15.8200
            2   C8x C    23.2400  -17.2200
            3   C8x C    21.9800  -17.9200
            4   C8y C    20.7900  -17.2200
            5   C8y C    20.7900  -15.8200
            6   C8x C    21.9800  -15.1200
            7   C8y C    19.5300  -17.9200
            8   N4y N    18.3400  -17.2200
            9   C8y C    18.3400  -15.8200
            10  N4x N    19.5300  -15.1200
            11  O5x O    17.1500  -15.1200
            12  O5x O    19.5300  -19.3200
            13  C1b C    17.1500  -17.9200
            14  C1b C    15.9600  -17.2200
            15  C1b C    14.7700  -17.9200
            16  N1y N    13.5800  -17.2200
            17  C1x C    12.3900  -17.9200
            18  C1x C    11.1300  -17.2200
            19  N1y N    11.1300  -15.8200
            20  C1x C    12.3200  -15.1200
            21  C1x C    13.5800  -15.8200
            22  C8y C     9.9400  -15.1200
            23  C8x C     8.6800  -15.8200
            24  C8x C     7.4900  -15.1200
            25  C8x C     7.4900  -13.7200
            26  C8x C     8.6800  -13.0200
            27  C8x C     9.9400  -13.7200
            28  X   Cl   23.1700  -19.5300
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

» Japanese version   » Back

DBGET integrated database retrieval system