KEGG   DRUG: Ramosetron hydrochloride
Entry
D02016                      Drug                                   
Name
Ramosetron hydrochloride (JAN);
YM 060;
Nasea (TN);
Irribow (TN)
Formula
C17H17N3O. HCl
Exact mass
315.1138
Mol weight
315.7973
Structure
Simcomp
Class
Gastrointestinal agent
 DG01489  5-HT3-receptor antagonist
 DG01762  Antiemetic
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01644  CYP2D6 substrate
Remark
Therapeutic category: 2391 2399
Chemical structure group: DG01239
Product (DG01239): D02016<JP>
Efficacy
Anti-emetic, Serotonin 5-HT3 receptor antagonist
Target
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP2D6 [HSA:1565]
Interaction
Structure map
map07211  Serotonin receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2391  Antiemetics
     D02016  Ramosetron hydrochloride (JAN)
    2399  Others
     D02016  Ramosetron hydrochloride (JAN)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG01239  Ramosetron
    D02016  Ramosetron hydrochloride
  DG01762  Antiemetic
   DG01239  Ramosetron
    D02016  Ramosetron hydrochloride
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG01239  Ramosetron
    D02016  Ramosetron hydrochloride
  DG01644  CYP2D6 substrate
   DG01239  Ramosetron
    D02016  Ramosetron hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D02016  Ramosetron hydrochloride (JAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02016
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01489  5-HT3-receptor antagonist
   DG01239  Ramosetron
  DG01762  Antiemetic
   DG01239  Ramosetron
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG01239  Ramosetron
  DG01644  CYP2D6 substrate
   DG01239  Ramosetron
Other DBs
CAS: 132907-72-3
PubChem: 7849078
ChEBI: 32088
LigandBox: D02016
NIKKAJI: J440.981G
KCF data

ATOM        22
            1   X   Cl   21.3413   -6.1250
            2   C1x C    12.9500   -3.9900
            3   C1y C    12.9500   -5.3900
            4   C5a C    14.1624   -6.0900
            5   C8y C    15.3749   -5.3900
            6   C8x C    15.3749   -3.9900
            7   C1x C    11.7376   -3.2900
            8   C8y C    10.5251   -3.9900
            9   C8y C    10.5251   -5.3900
            10  C1x C    11.7376   -6.0900
            11  C8y C    16.7064   -5.8226
            12  C8y C    17.5293   -4.6900
            13  N4y N    16.7064   -3.5574
            14  C8x C    17.2758   -7.1016
            15  C8x C    18.6681   -7.2479
            16  C8x C    19.4911   -6.1153
            17  C8x C    18.9216   -4.8363
            18  O5a O    14.1624   -7.4900
            19  N5x N     9.1936   -3.5574
            20  C8x C     8.3707   -4.6900
            21  N4x N     9.1936   -5.8226
            22  C1a C    17.4064   -2.3449
BOND        24
            1     2   3 1
            2     3   4 1 #Up
            3     4   5 1
            4     5   6 2
            5     2   7 1
            6     7   8 1
            7     8   9 2
            8     9  10 1
            9     3  10 1
            10    5  11 1
            11   11  12 2
            12   12  13 1
            13    6  13 1
            14   11  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19    4  18 2
            20    8  19 1
            21   19  20 2
            22   20  21 1
            23    9  21 1
            24   13  22 1

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