KEGG   DRUG: D02581Help
Entry
D02581                      Drug                                   

Name
Cimoxatone (INN)
Formula
C19H18N2O4
Exact mass
338.1267
Mol weight
338.3572
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  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   monoamine oxidase A (MAO-A) [HSA:4128] [KO:K00274]
    Cimoxatone
     D02581  Cimoxatone (INN)
BRITE hierarchy
Other DBs
CAS: 
73815-11-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C8y C    10.0800  -18.3400
            2   C8x C    10.0800  -19.7400
            3   C8x C    11.2700  -20.4400
            4   C8x C    12.5300  -19.7400
            5   C8y C    12.5300  -18.3400
            6   C8x C    11.2700  -17.6400
            7   C3b C     8.8900  -17.6400
            8   N3a N     7.7000  -16.9400
            9   C1b C    13.7200  -17.6400
            10  O2a O    14.9100  -18.3400
            11  C8y C    16.1000  -17.6400
            12  C8x C    17.2900  -18.3400
            13  C8x C    18.5500  -17.6400
            14  C8y C    18.5500  -16.2400
            15  C8x C    17.3600  -15.5400
            16  C8x C    16.1000  -16.2400
            17  N1y N    19.7653  -15.5449
            18  C7x C    19.7653  -14.1449
            19  C1x C    21.0968  -15.9776
            20  C1y C    21.9197  -14.8449
            21  O7x O    21.0968  -13.7123
            22  O6a O    18.6139  -13.3082
            23  C1b C    23.3100  -14.8449
            24  O2a O    24.0121  -13.6288
            25  C1a C    25.4098  -13.6288
BOND        27
            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     1   7 1
            8     7   8 3
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   14  17 1
            19   17  18 1
            20   17  19 1
            21   19  20 1
            22   20  21 1
            23   18  21 1
            24   18  22 2
            25   20  23 1
            26   23  24 1
            27   24  25 1

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