KEGG   DRUG: D02577Help
Entry
D02577                      Drug                                   

Name
Flibanserin (USAN/INN);
Ectris (TN)
Formula
C20H21F3N4O
Exact mass
390.1667
Mol weight
390.4022
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antidepressant [5-HT1a agonist and 5-HT2 antagonist]
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
     Flibanserin
      D02577  Flibanserin (USAN/INN)
    5-HT2-receptor
     Flibanserin
      D02577  Flibanserin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
167933-07-5
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C    22.4700  -22.9600
            2   C8y C    22.4700  -21.5600
            3   C8x C    23.6600  -20.8600
            4   C8y C    24.9200  -21.5600
            5   C8x C    24.9200  -22.9600
            6   C8x C    23.6600  -23.6600
            7   N1y N    21.2800  -20.8600
            8   C1x C    20.0900  -21.5600
            9   C1x C    18.8300  -20.8600
            10  N1y N    18.8300  -19.4600
            11  C1x C    20.0200  -18.7600
            12  C1x C    21.2800  -19.4600
            13  C1b C    17.6400  -18.7600
            14  C1b C    16.3800  -19.4600
            15  N4y N    15.1900  -18.7600
            16  C8y C    13.3700  -17.4300
            17  C8y C    14.7700  -17.4300
            18  C8y C    14.0700  -19.6000
            19  N4x N    12.9500  -18.7600
            20  C8x C    15.4700  -16.2176
            21  C8x C    14.7700  -15.0051
            22  C8x C    13.3700  -15.0051
            23  C8x C    12.6700  -16.2176
            24  O5x O    14.0700  -21.0000
            25  C1d C    26.1266  -20.8500
            26  X   F    27.3000  -20.1600
            27  X   F    26.8100  -22.0500
            28  X   F    25.4100  -19.6700
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   16  17 2
            18   17  15 1
            19   15  18 1
            20   18  19 1
            21   16  19 1
            22   17  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   16  23 1
            27   18  24 2
            28    4  25 1
            29   25  26 1
            30   25  27 1
            31   25  28 1

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