KEGG   DRUG: D05471Help
Entry
D05471                      Drug                                   

Name
Piboserod hydrochloride (USAN)
Formula
C22H31N3O2. HCl
Exact mass
405.2183
Mol weight
405.9614
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of irritable bowel syndrome [selective 5HT4 receptor antagonist]
Target
5-HT4-receptor antagonist [HSA:3360] [KO:K04160]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT4-receptor
     Piboserod
      D05471  Piboserod hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
178273-87-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8y C     6.2300   -8.6800
            2   N4y N     7.6300   -8.6800
            3   C8y C     8.0626   -7.3485
            4   C8y C     6.9300   -6.5256
            5   C8y C     5.7974   -7.3485
            6   C8x C     4.4280   -7.0574
            7   C8x C     3.4912   -8.0978
            8   C8x C     3.9238   -9.4293
            9   C8x C     5.2932   -9.7204
            10  C1x C     8.5668   -9.7204
            11  C1x C     9.9362   -9.4293
            12  C1x C    10.3688   -8.0978
            13  O2x O     9.4320   -7.0574
            14  C5a C     6.9300   -5.1100
            15  O5a O     5.7176   -4.4100
            16  N1b N     8.1424   -4.4100
            17  C1b C     9.3379   -5.1004
            18  C1y C    10.5253   -4.4149
            19  C1x C    11.7165   -5.1029
            20  C1x C    12.9290   -4.4031
            21  N1y N    12.9292   -3.0031
            22  C1x C    11.7380   -2.3151
            23  C1x C    10.5255   -3.0149
            24  C1b C    14.1542   -2.2959
            25  C1b C    15.3619   -2.9933
            26  C1b C    16.5432   -2.3113
            27  C1a C    17.7375   -3.0011
            28  X   Cl   15.0500   -7.9800
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    1   9 2
            11    2  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    3  13 1
            16    4  14 1
            17   14  15 2
            18   14  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1

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