KEGG   DRUG: D02580Help
Entry
D02580                      Drug                                   

Name
Isocarboxazid (INN);
Marplan (TN)
Product
Formula
C12H13N3O2
Exact mass
231.1008
Mol weight
231.2505
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antidepressant
Remark
ATC code: 
Drug group: 
Target
monoamine oxidase (MAO) inhibitor [HSA:4128 4129] [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
    N06AF Monoamine oxidase inhibitors, non-selective
     N06AF01 Isocarboxazid
      D02580  Isocarboxazid (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   monoamine oxidase (MAO)
    Isocarboxazid
     D02580  Isocarboxazid (INN)
BRITE hierarchy
Other DBs
CAS: 
59-63-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C8x C    10.4300  -16.5200
            2   C8x C    10.4300  -17.9200
            3   C8x C    11.6200  -18.6200
            4   C8y C    12.8800  -17.9200
            5   C8x C    12.8800  -16.5200
            6   C8x C    11.6200  -15.8200
            7   C1b C    14.0700  -18.6200
            8   N1b N    15.3300  -17.9200
            9   N1b N    16.5200  -18.6200
            10  C5a C    17.7100  -17.9200
            11  C8y C    18.9700  -18.6200
            12  O5a O    17.7100  -16.5200
            13  N5x N    19.3900  -19.9500
            14  O2x O    20.7900  -19.9500
            15  C8y C    21.2100  -18.6200
            16  C8x C    20.0900  -17.7800
            17  C1a C    22.5430  -18.1920
BOND        18
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 2
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   16  11 1
            17   13  11 2
            18   15  17 1

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