KEGG   DRUG: Xaliproden hydrochloride
Entry
D01537                      Drug                                   
Name
Xaliproden hydrochloride (JAN);
SR 57746A
Formula
C24H22F3N. HCl
Exact mass
417.1471
Mol weight
417.8943
Structure
Simcomp
Remark
ATC code: N07XX03
Chemical structure group: DG01008
Efficacy
Nootropic, Serotonin 5-HT1A receptor agonist
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
      D01537  Xaliproden hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1A
     D01537  Xaliproden hydrochloride (JAN)
Other DBs
CAS: 90494-79-4
PubChem: 7848600
ChEBI: 32302
LigandBox: D01537
NIKKAJI: J571.275K
KCF data

ATOM        29
            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
            29  X   Cl   30.8540  -22.0223
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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