KEGG   DRUG: D02767Help
Entry
D02767                      Drug                                   

Name
Adatanserin hydrochloride (USAN)
Formula
C21H31N5O. HCl
Exact mass
405.2295
Mol weight
405.9647
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-anxiety agent;
Antidepressant
Target
5-HT1A-receptor agonist [HSA:3350] [KO:K04153];
5-HT2-receptor antagonist [HSA:3356 3357 3358] [KO:K04157]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT1A-receptor
     Adatanserin
      D02767  Adatanserin hydrochloride (USAN)
    5-HT2-receptor
     Adatanserin
      D02767  Adatanserin hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
144966-96-1
PubChem: 
LigandBox: 
KCF data Show

ATOM        28
            1   C1z C    18.5331  -14.6639
            2   C1x C    17.8402  -16.0497
            3   C1y C    17.8402  -17.2969
            4   C1y C    17.3551  -16.6040
            5   C1y C    19.6417  -16.6040
            6   C1x C    16.2465  -17.7126
            7   C1x C    18.9488  -18.3363
            8   C1x C    17.3551  -15.2875
            9   C1x C    18.5331  -17.2276
            10  C1x C    19.6417  -15.2875
            11  C1b C    20.8203  -13.2088
            12  N1b N    19.7117  -12.5852
            13  C5a C    18.5338  -13.2781
            14  N1y N    23.1762  -13.2088
            15  C1b C    21.9983  -12.5159
            16  O5a O    17.3280  -12.5950
            17  C1x C    23.1762  -14.5946
            18  C1x C    24.3763  -15.2875
            19  N1y N    25.5765  -14.5946
            20  C1x C    25.5765  -13.2088
            21  C1x C    24.3763  -12.5159
            22  N5x N    26.7766  -16.6733
            23  C8y C    26.7766  -15.2875
            24  C8x C    27.9767  -17.3662
            25  C8x C    29.1769  -16.6733
            26  C8x C    29.1769  -15.2875
            27  N5x N    27.9767  -14.5946
            28  X   Cl   32.8075  -15.0103
BOND        31
            1     1   2 1
            2     2   3 1
            3     8   4 1
            4     4   9 1
            5     9   5 1
            6     5  10 1
            7    10   1 1
            8     1   8 1
            9     3   6 1
            10    3   7 1
            11    4   6 1
            12    5   7 1
            13   11  12 1
            14   12  13 1
            15    1  13 1
            16   14  15 1
            17   11  15 1
            18   13  16 2
            19   14  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   14  21 1
            25   22  23 1
            26   19  23 1
            27   22  24 2
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   23  27 2

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