KEGG   DRUG: Tegaserod
Entry
D06056                      Drug                                   
Name
Tegaserod (USAN/INN)
Formula
C16H23N5O
Exact mass
301.1903
Mol weight
301.3867
Structure
Class
Metabolizing enzyme substrate
 DG02924  UGT substrate
Remark
ATC code: A06AX06
Chemical structure group: DG00081
Efficacy
Prokinetic, Serotonin receptor agonist
Comment
Treatment of gastrointestinal motility disorders
Target
HTR4 [HSA:3360] [KO:K04160]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Metabolism
Enzyme: UGT [KO:K00699]
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)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG00081  Tegaserod
    D06056  Tegaserod
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR4
     D06056  Tegaserod (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D06056
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG00081  Tegaserod
Other DBs
CAS: 145158-71-0
PubChem: 47207714
ChEBI: 51043
LigandBox: D06056
KCF data

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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Ontology (4)   
   KEGG BRITE (4)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (11)   

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