KEGG   DRUG: Xaliproden
Entry
D06327                      Drug                                   
Name
Xaliproden (USAN)
Formula
C24H22F3N
Exact mass
381.1704
Mol weight
381.4334
Structure
Simcomp
Remark
ATC code: N07XX03
Chemical structure group: DG01008
Efficacy
Nootropic, Serotonin 5-HT1A receptor agonist
Comment
Potentiator of the action and endogenous synthesis of neurotrophin
Target
HTR1A [HSA:3350] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07X OTHER NERVOUS SYSTEM DRUGS
    N07XX Other nervous system drugs
     N07XX03 Xaliproden
      D06327  Xaliproden (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1A
     D06327  Xaliproden (USAN)
Other DBs
CAS: 135354-02-8
PubChem: 47207984
ChEBI: 48520
LigandBox: D06327
NIKKAJI: J570.504E
KCF data

ATOM        28
            1   C8x C    17.4881  -21.4860
            2   C8x C    17.4881  -22.8903
            3   C8x C    18.7080  -23.5961
            4   C8x C    18.7080  -20.7873
            5   C8y C    19.9210  -21.4860
            6   C8y C    19.9151  -22.8903
            7   C8x C    21.1291  -23.6012
            8   C8x C    22.3492  -22.9007
            9   C8y C    22.3553  -21.4963
            10  C8x C    21.1411  -20.7926
            11  C1b C    23.5683  -20.8029
            12  C1b C    24.7823  -21.5066
            13  N1y N    26.0025  -20.8132
            14  C1x C    27.2167  -21.5169
            15  C1x C    25.9384  -19.4160
            16  C1x C    27.2214  -18.7224
            17  C2y C    28.4286  -19.4261
            18  C2x C    28.4227  -20.8234
            19  C8y C    29.6416  -18.7327
            20  C8x C    30.8421  -19.4346
            21  C8x C    32.0553  -18.7410
            22  C8x C    32.0612  -17.3438
            23  C8y C    30.8540  -16.6400
            24  C8x C    29.6410  -17.3336
            25  C1d C    30.8599  -15.2428
            26  X   F    32.2512  -15.2406
            27  X   F    29.4567  -15.2406
            28  X   F    30.8780  -13.8457
BOND        31
            1     4   1 1
            2    14  18 1
            3     5   6 1
            4    13  15 1
            5    15  16 1
            6     6   7 1
            7    16  17 1
            8     7   8 2
            9    17  18 2
            10    8   9 1
            11   17  19 1
            12    9  10 2
            13   10   5 1
            14    9  11 1
            15    1   2 2
            16   11  12 1
            17   19  20 2
            18   20  21 1
            19   21  22 2
            20   22  23 1
            21   23  24 2
            22   24  19 1
            23    2   3 1
            24   23  25 1
            25    3   6 2
            26   25  26 1
            27   12  13 1
            28   25  27 1
            29    5   4 2
            30   25  28 1
            31   13  14 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (9)   

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