KEGG   DRUG: Fluparoxan hydrochlorideHelp
Entry
D04223                      Drug                                   

Name
Fluparoxan hydrochloride (USAN);
Fluparoxan hydrochloride hydrate
Formula
(C10H10FNO2. HCl)2. H2O
Exact mass
480.103
Mol weight
481.3178
Structure
Mol fileKCF fileDB search
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Efficacy
Antidepressant
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D04223  Fluparoxan hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 111793-41-0
PubChem: 47206169
ChEMBL: CHEMBL3989732
LigandBox: D04223
KCF data Show

ATOM        31
            1   C8x C    23.0318  -15.4728
            2   C8x C    23.0318  -16.8731
            3   C8x C    24.2445  -17.5732
            4   C8y C    25.4572  -16.8731
            5   C8y C    25.4572  -15.4728
            6   C8y C    24.2445  -14.7727
            7   X   F    24.2445  -13.3726
            8   O2x O    26.6698  -17.5732
            9   C1y C    27.8824  -16.8731
            10  C1y C    27.8824  -15.4728
            11  O2x O    26.6698  -14.7727
            12  C1x C    29.2142  -17.3058
            13  N1x N    30.0373  -16.1729
            14  C1x C    29.2142  -15.0401
            15  O0  O    36.5452  -15.4730
            16  X   Cl   33.0400  -16.1000
            17  C8x C    23.0318  -15.4728
            18  C8x C    23.0318  -16.8731
            19  C8x C    24.2445  -17.5732
            20  C8y C    25.4572  -16.8731
            21  C8y C    25.4572  -15.4728
            22  C8y C    24.2445  -14.7727
            23  X   F    24.2445  -13.3726
            24  O2x O    26.6698  -14.7727
            25  C1y C    27.8824  -15.4728
            26  C1y C    27.8824  -16.8731
            27  O2x O    26.6698  -17.5732
            28  C1x C    29.2142  -17.3058
            29  N1x N    30.0373  -16.1729
            30  C1x C    29.2142  -15.0401
            31  X   Cl   33.0400  -16.1000
BOND        32
            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     6   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    5  11 1
            13    9  12 1 #Down
            14   12  13 1
            15   13  14 1
            16   10  14 1 #Up
            17   17  18 2
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 2
            22   17  22 1
            23   22  23 1
            24   20  27 1
            25   27  26 1
            26   26  25 1
            27   25  24 1
            28   21  24 1
            29   26  28 1 #Down
            30   28  29 1
            31   29  30 1
            32   25  30 1 #Up
BRACKET     1    22.2600  -18.2700   22.2600  -12.6700
            1    33.8800  -12.6700   33.8800  -18.2700
            1  2
 ORIGINAL  1    1   2   3   4   5   6   7  11  10   9   8  12  13  14  16
 REPEAT    1   17  18  19  20  21  22  23  24  25  26  27  28  29  30  31

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