KEGG   DRUG: D02563Help
Entry
D02563                      Drug                                   

Name
Befloxatone (INN)
Formula
C15H18F3NO5
Exact mass
349.1137
Mol weight
349.3023
Structure
Mol fileKCF fileDB searchJmolKegDraw
Target
monoamine oxidase A (MAO-A) inhibitor [HSA:4128] [KO:K00274]
  Pathway
hsa00260  Glycine, serine and threonine metabolism
hsa00330  Arginine and proline metabolism
hsa00340  Histidine metabolism
hsa00350  Tyrosine metabolism
hsa00360  Phenylalanine metabolism
hsa00380  Tryptophan metabolism
hsa00982  Drug metabolism - cytochrome P450
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse  
 
Structure map
Catecholamine transferase inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   monoamine oxidase A (MAO-A)
    Befloxatone
     D02563  Befloxatone (INN)
BRITE hierarchy
Other DBs
CAS: 
134564-82-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8x C    14.7700  -16.6600
            2   C8y C    14.7700  -18.0600
            3   C8x C    15.9600  -18.7600
            4   C8x C    17.2200  -18.0600
            5   C8y C    17.2200  -16.6600
            6   C8x C    15.9600  -15.9600
            7   O2a O    13.5800  -18.7600
            8   C1b C    12.3200  -18.0600
            9   C1b C    11.1300  -18.7600
            10  C1c C     9.9400  -18.0600
            11  C1d C     8.6800  -18.7600
            12  N1y N    18.4100  -15.9600
            13  C1x C    19.8100  -15.9600
            14  C1y C    20.2300  -14.6300
            15  O7x O    19.1100  -13.7900
            16  C7x C    17.9900  -14.6300
            17  O6a O    16.6570  -14.2020
            18  C1b C    21.4424  -13.9300
            19  O2a O    22.6549  -14.6300
            20  C1a C    23.8673  -13.9300
            21  O1a O     9.9572  -16.6601
            22  X   F     7.4900  -19.4600
            23  X   F     7.9800  -17.5700
            24  X   F     9.3800  -19.9500
BOND        25
            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    5  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   12  16 1
            18   16  17 2
            19   14  18 1 #Up
            20   18  19 1
            21   19  20 1
            22   10  21 1 #Down
            23   11  22 1
            24   11  23 1
            25   11  24 1

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