KEGG   DRUG: DosulepinHelp
Entry
D07872                      Drug                                   

Name
Dosulepin (INN);
Dothiepin;
Dothep (TN)
Formula
C19H21NS
Exact mass
295.1395
Mol weight
295.4417
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01730  Non-selective monoamine reuptake inhibitor
 DG01728  Tricyclic antidepressant
Enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: N06AA16
Chemical structure group: DG00940
Product (DG00940): D01546<JP>
Efficacy
Antidepressant
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
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
     N06AA16 Dosulepin
      D07872  Dosulepin (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07872  Dosulepin (INN)
    SLC6A4 (HTT)
     D07872  Dosulepin (INN)
BRITE hierarchy
Other DBs
CAS: 113-53-1
PubChem: 96024568
ChEMBL: CHEMBL108947
LigandBox: D07872
NIKKAJI: J2.890H J524.977E
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1x C    21.9800  -21.2100
            2   C8y C    21.1400  -20.0900
            3   C8y C    21.4200  -18.6900
            4   C2y C    22.6800  -18.1300
            5   S2x S    23.3800  -21.2100
            6   C8y C    23.9400  -18.7600
            7   C8y C    24.2900  -20.1600
            8   C8x C    20.4400  -17.7100
            9   C8x C    19.1100  -18.1300
            10  C8x C    18.7600  -19.4600
            11  C8x C    19.7400  -20.4400
            12  C8x C    25.6200  -20.5800
            13  C8x C    26.6700  -19.6000
            14  C8x C    26.3200  -18.2700
            15  C8x C    24.9900  -17.8500
            16  C2b C    22.6800  -16.7300
            17  C1b C    23.8700  -16.1000
            18  C1b C    25.0600  -16.8000
            19  N1c N    26.3200  -16.1000
            20  C1a C    27.5100  -16.8000
            21  C1a C    26.3200  -14.7000
BOND        23
            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 2
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1

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