KEGG   DRUG: Fabesetron hydrochlorideHelp
Entry
D01838                      Drug                                   

Name
Fabesetron hydrochloride (JAN)
Formula
C18H19N3O. HCl
Exact mass
329.1295
Mol weight
329.8239
Structure
Mol fileKCF fileDB search
Class
Gastrointestinal agent
 DG01762  Antiemetic
Efficacy
Anti-emetic, Serotonin 5-HT3 receptor antagonist
Target
HTR3 [HSA:3359 9177 170572 200909 285242] [KO:K04819]
HTR4 [HSA:3360] [KO:K04160]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR4
     D01838  Fabesetron hydrochloride (JAN)
 Ion channels
  Ligand-gated ion channels
   Serotonin
    HTR3
     D01838  Fabesetron hydrochloride (JAN)
BRITE hierarchy
Other DBs
CAS: 129299-90-7
PubChem: 7848900
ChEBI: 31588
ChEMBL: CHEMBL3185034
LigandBox: D01838
NIKKAJI: J2.640.037F
LinkDB All DBs
KCF data Show

ATOM        23
            1   N4y N    31.4356  -16.1872
            2   C8y C    32.7695  -16.6319
            3   C8y C    31.4415  -14.7831
            4   C5x C    30.2304  -16.8893
            5   C8y C    33.5887  -15.4911
            6   C8y C    32.7812  -14.3560
            7   C1x C    30.2304  -14.0869
            8   C1y C    29.0134  -16.1872
            9   O5x O    30.2362  -18.2877
            10  C1a C    33.2200  -13.0338
            11  C1x C    29.0134  -14.7831
            12  C8x C    34.9998  -15.4944
            13  C8x C    35.6865  -16.6901
            14  C8x C    35.0001  -17.8725
            15  C8x C    33.6001  -17.8691
            16  C1a C    27.8010  -14.0831
            17  C8y C    26.5886  -14.7831
            18  C8y C    26.5886  -16.1872
            19  C1b C    27.8010  -16.8872
            20  N5x N    25.2532  -14.3492
            21  C8x C    24.4278  -15.4852
            22  N4x N    25.2532  -16.6211
            23  X   Cl   38.2434  -16.3333
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     3   6 2
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    7  11 1
            11    5   6 1
            12    8  11 1
            13    5  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15   2 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21    8  19 1 #Up
            22   17  20 1
            23   20  21 2
            24   21  22 1
            25   18  22 1

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