Tegaserod maleate


Entry
D02730                      Drug                                   
Name
Tegaserod maleate (USAN);
Zelnorm (TN)
Formula
C16H23N5O. C4H4O4
Exact mass
417.2012
Mol weight
417.4589
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 moility 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
      D02730  Tegaserod maleate (USAN)
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Anti-Constipation Agents
   Tegaserod
    D02730  Tegaserod maleate (USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG00081  Tegaserod
    D02730  Tegaserod maleate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR4
     D02730  Tegaserod maleate (USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02730
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02730
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02730
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02924  UGT substrate
   DG00081  Tegaserod
Other DBs
CAS: 189188-57-6
PubChem: 17396897
ChEBI: 51044
LigandBox: D02730
KCF data

ATOM        30
            1   C8y C    26.2670  -13.3791
            2   C8y C    23.9920  -13.3791
            3   C8x C    26.2670  -14.6931
            4   C8y C    23.9920  -14.6931
            5   C8x C    22.8516  -12.7250
            6   N4x N    25.1265  -15.3472
            7   C8x C    22.8516  -15.3530
            8   C8y C    21.7286  -13.3791
            9   C8x C    21.7286  -14.6931
            10  C2b C    27.4990  -12.6964
            11  N2b N    28.7017  -13.3908
            12  N1b N    29.9043  -12.6964
            13  C2c C    31.1068  -13.3908
            14  N1b N    32.3095  -12.6964
            15  C1b C    33.5121  -13.3908
            16  C1b C    34.7146  -12.6964
            17  C1b C    35.9173  -13.3908
            18  C1b C    37.1198  -12.6964
            19  N2a N    31.1068  -14.7794
            20  C1a C    38.3285  -13.3942
            21  O2a O    20.5189  -12.6835
            22  C1a C    19.3231  -13.3770
            23  C2b C    34.4628  -17.6579
            24  C2b C    36.1100  -17.6579
            25  C6a C    33.7765  -18.8466
            26  C6a C    36.7964  -18.8466
            27  O6a O    38.1689  -18.8466
            28  O6a O    32.4040  -18.8466
            29  O6a O    34.4535  -20.0187
            30  O6a O    36.1194  -20.0187
BOND        30
            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
            24   23  24 2
            25   23  25 1
            26   24  26 1
            27   26  27 2
            28   25  28 1
            29   25  29 2
            30   26  30 1