KEGG   DRUG: DesipramineHelp
Entry
D07791                      Drug                                   

Name
Desipramine (INN)
Formula
C18H22N2
Exact mass
266.1783
Mol weight
266.3807
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01730  Non-selective monoamine reuptake inhibitor
 DG01728  Tricyclic antidepressant
Remark
Same as: C06943
ATC code: N06AA01
Chemical structure group: DG00927
Product (DG00927): D00812<US>
Efficacy
Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI)
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04726  Serotonergic synapse
Interaction
Drug interaction
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AA Non-selective monoamine reuptake inhibitors
     N06AA01 Desipramine
      D07791  Desipramine (INN)
USP drug classification [BR:br08302]
 Antidepressants
  Tricyclics
   Desipramine
    D07791  Desipramine (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07791  Desipramine (INN)
    SLC6A4 (HTT)
     D07791  Desipramine (INN)
Prodrugs [br08324.html]
 D07791
BRITE hierarchy
Other DBs
CAS: 50-47-5
PubChem: 96024488
ChEBI: 47781
ChEMBL: CHEMBL72
DrugBank: DB01151
PDB-CCD: DSM[PDBj]
LigandBox: D07791
NIKKAJI: J8.596K
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1x C    23.0300  -20.4400
            2   C8y C    22.1200  -19.3900
            3   C8y C    22.4700  -17.9900
            4   N1y N    23.7300  -17.4300
            5   C1x C    24.4300  -20.5100
            6   C8y C    24.9900  -18.0600
            7   C8y C    25.2700  -19.3900
            8   C8x C    21.4900  -17.0100
            9   C8x C    20.1600  -17.4300
            10  C8x C    19.8100  -18.7600
            11  C8x C    20.7900  -19.7400
            12  C8x C    26.6000  -19.8800
            13  C8x C    27.6500  -18.9000
            14  C8x C    27.3700  -17.5700
            15  C8x C    26.0400  -17.0800
            16  C1b C    23.7300  -16.0300
            17  C1b C    24.9200  -15.3300
            18  C1b C    26.1100  -16.0300
            19  N1b N    27.3000  -15.4000
            20  C1a C    28.5600  -16.1000
BOND        22
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    4  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1

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