KEGG   DRUG: D02559Help
Entry
D02559                      Drug                                   

Name
Toloxatone (INN);
Humoryl (TN)
Formula
C11H13NO3
Exact mass
207.0895
Mol weight
207.2258
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Comment
Serotonin-norepinephrine reuptake inhibitor (SNRI)
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  
 
Interaction
Drug interaction
Structure map
Antidepressants
Catecholamine transferase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AG Monoamine oxidase A inhibitors
     N06AG03 Toloxatone
      D02559  Toloxatone (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   monoamine oxidase A (MAO-A)
    Toloxatone
     D02559  Toloxatone (INN)
BRITE hierarchy
Other DBs
CAS: 
29218-27-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        15
            1   C8x C    27.7210  -17.2208
            2   C8x C    27.7210  -18.6209
            3   C8y C    28.9334  -19.3210
            4   C8x C    30.1460  -18.6209
            5   C8y C    30.1460  -17.2208
            6   C8x C    28.9334  -16.5208
            7   C1a C    28.9334  -20.7208
            8   N1y N    31.3772  -16.5098
            9   C1x C    32.6998  -16.9311
            10  C1y C    33.5113  -15.8028
            11  O7x O    32.6890  -14.6823
            12  C7x C    31.3692  -15.1181
            13  O6a O    30.2162  -14.2887
            14  C1b C    34.9345  -15.7962
            15  O1a O    35.6327  -16.9924
BOND        16
            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     3   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    8  12 1
            14   12  13 2
            15   10  14 1
            16   14  15 1

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