KEGG   DRUG: D06056Help
Entry
D06056                      Drug                                   

Name
Tegaserod (USAN/INN)
Formula
C16H23N5O
Exact mass
301.1903
Mol weight
301.3867
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of gastrointestinal motility disorders [selective serotonin 5-HT4 antagonist]
Remark
ATC code: 
Target
5-HT4-receptor agonist [HSA:3360] [KO:K04160]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AX Other drugs for constipation
     A06AX06 Tegaserod
      D06056  Tegaserod (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT4-receptor [HSA:3360] [KO:K04160]
     Tegaserod [ATC:A03AE02]
      D06056  Tegaserod (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
145158-71-0
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        22
            1   C8y C    23.6768  -13.7990
            2   C8y C    21.4018  -13.7990
            3   C8x C    23.6768  -15.1130
            4   C8y C    21.4018  -15.1130
            5   C8x C    20.2614  -13.1449
            6   N4x N    22.5363  -15.7671
            7   C8x C    20.2614  -15.7729
            8   C8y C    19.1385  -13.7990
            9   C8x C    19.1385  -15.1130
            10  C2b C    24.9088  -13.1163
            11  N2b N    26.1115  -13.8107
            12  N1b N    27.3141  -13.1163
            13  C2c C    28.5166  -13.8107
            14  N1b N    29.7193  -13.1163
            15  C1b C    30.9219  -13.8107
            16  C1b C    32.1244  -13.1163
            17  C1b C    33.3271  -13.8107
            18  C1b C    34.5296  -13.1163
            19  N2a N    28.5166  -15.1993
            20  C1a C    35.7382  -13.8141
            21  O2a O    17.9288  -13.1034
            22  C1a C    16.7330  -13.7969
BOND        23
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 2
            8     7   9 2
            9     4   6 1
            10    8   9 1
            11    1  10 1
            12   10  11 2
            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  19 2
            21   18  20 1
            22    8  21 1
            23   21  22 1

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