KEGG   DRUG: Alosetron hydrochlorideHelp
Entry
D02829                      Drug                                   

Name
Alosetron hydrochloride (USAN);
Lotrpnex (TN)
Product
  Generic
Formula
C17H18N4O. HCl
Exact mass
330.1247
Mol weight
330.812
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01489  5-HT3-receptor antagonist
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01642  CYP2C9 substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: A03AE01
Chemical structure group: DG00046
Product (DG00046): D02829<US>
Efficacy
Anti-emetic, Serotonin 5-HT3 receptor antagonist
  Disease
Irritable bowel syndrome [DS:H01615]
Target
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544]; CYP3A4 [HSA:1576], CYP2C9 [HSA:1559]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AE Serotonin receptor antagonists
     A03AE01 Alosetron
      D02829  Alosetron hydrochloride (USAN) <US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Irritable Bowel Syndrome Agents
   Alosetron
    D02829  Alosetron hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D02829  Alosetron hydrochloride (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02829
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02829
BRITE hierarchy
Other DBs
CAS: 122852-69-1
PubChem: 17396986
ChEBI: 53783
ChEMBL: CHEMBL1200885
DrugBank: DB00969
LigandBox: D02829
LinkDB All DBs
KCF data Show

ATOM        23
            1   X   Cl   32.7879  -18.6713
            2   C1x C    24.0510  -17.3425
            3   N1y N    24.0510  -18.7409
            4   C5x C    25.2620  -19.4401
            5   C8y C    26.4731  -18.7409
            6   C8y C    26.4731  -17.3425
            7   C1x C    25.2620  -16.6433
            8   O5x O    25.2620  -20.8383
            9   C8y C    27.8031  -19.1730
            10  C8y C    28.6250  -18.0417
            11  N4y N    27.8031  -16.9104
            12  C8x C    28.3718  -20.4505
            13  C8x C    29.7625  -20.5966
            14  C8x C    30.5845  -19.4653
            15  C8x C    30.0157  -18.1878
            16  C1b C    22.8400  -19.4401
            17  C8y C    21.6459  -18.7505
            18  C1a C    28.2337  -15.5851
            19  C8y C    21.6459  -17.3601
            20  C1a C    22.8464  -16.6669
            21  N4x N    20.3236  -16.9304
            22  C8x C    19.5063  -18.0552
            23  N5x N    20.3235  -19.1801
BOND        25
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     2   7 1
            7     4   8 2
            8     5   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    9  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 2
            17    3  16 1
            18   16  17 1
            19   11  18 1
            20   17  19 2
            21   19  20 1
            22   19  21 1
            23   21  22 1
            24   22  23 2
            25   17  23 1

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