KEGG   DRUG: Lubazodone hydrochlorideHelp
Entry
D04788                      Drug                                   

Name
Lubazodone hydrochloride (USAN)
Formula
C14H18FNO2. HCl
Exact mass
287.1088
Mol weight
287.7576
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Efficacy
Antidepressant
Comment
Serotonin reuptake inhibitor (SRI)
selective serotonine (5-HT) reuptake inhibitor and 5-HT2A antagonist
Target
HTR2A [HSA:3356] [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
    HTR2A
     D04788  Lubazodone hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 161178-10-5
PubChem: 47206598
ChEMBL: CHEMBL1822892
LigandBox: D04788
KCF data Show

ATOM        19
            1   C1y C    40.9536  -28.1100
            2   O2x O    39.7219  -28.8216
            3   C1x C    39.7223  -30.2197
            4   C1x C    40.9332  -30.9184
            5   N1x N    42.1650  -30.2068
            6   C1x C    42.1645  -28.8087
            7   C8x C    38.5487  -22.5180
            8   C8x C    38.5487  -23.9161
            9   C8y C    39.7594  -24.6151
            10  C8y C    40.9703  -23.9161
            11  C8y C    40.9703  -22.5180
            12  C8y C    39.7594  -21.8190
            13  C1x C    42.2999  -24.3481
            14  C1x C    43.1217  -23.2171
            15  C1x C    42.2999  -22.0860
            16  O2a O    39.7594  -26.0130
            17  X   F    39.7594  -20.4211
            18  C1b C    40.9534  -26.7025
            19  X   Cl   44.7701  -26.9919
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   11  15 1
            17    9  16 1
            18   12  17 1
            19   16  18 1
            20    1  18 1 #Down

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