KEGG   DRUG: Dothiepin hydrochloride
Entry
D01546                      Drug                                   
Name
Dothiepin hydrochloride (USAN);
Dosulepin hydrochloride (JAN);
Dosulepin (TN)
Formula
C19H21NS. HCl
Exact mass
331.1161
Mol weight
331.9027
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01730  Non-selective monoamine reuptake inhibitor
 DG01728  Tricyclic antidepressant
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Therapeutic category: 1179
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
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
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
      D01546  Dothiepin hydrochloride (USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D01546  Dothiepin hydrochloride (USAN); Dosulepin hydrochloride (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00940  Dosulepin
    D01546  Dothiepin hydrochloride
  DG01728  Tricyclic antidepressant
   DG00940  Dosulepin
    D01546  Dothiepin hydrochloride
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00940  Dosulepin
    D01546  Dothiepin hydrochloride
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   D01546  Dothiepin hydrochloride
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D01546  Dothiepin hydrochloride (USAN) <JP>
    SLC6A4 (HTT)
     D01546  Dothiepin hydrochloride (USAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01546
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00940  Dosulepin
  DG01728  Tricyclic antidepressant
   DG00940  Dosulepin
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00940  Dosulepin
Other DBs
CAS: 897-15-4
PubChem: 7848609
ChEBI: 31519
LigandBox: D01546
NIKKAJI: J327.457H J525.160E
LinkDB
KCF data

ATOM        22
            1   C1x C    12.0152  -14.6073
            2   C8y C    11.1708  -13.4947
            3   C8y C    11.5069  -12.1342
            4   C2y C    12.7714  -11.5545
            5   S2x S    13.4248  -14.6326
            6   C8y C    14.0283  -12.1785
            7   C8y C    14.3156  -13.5510
            8   C8x C    10.4970  -11.1631
            9   C8x C     9.1514  -11.5523
            10  C8x C     8.8153  -12.9128
            11  C8x C     9.8251  -13.8836
            12  C8x C    15.6504  -13.9893
            13  C8x C    16.6975  -13.0523
            14  C8x C    16.4104  -11.6798
            15  C8x C    15.0753  -11.2415
            16  C2b C    12.7231  -10.1758
            17  C1b C    13.9504   -9.4928
            18  C1b C    15.1220  -10.1942
            19  N1c N    16.3475   -9.5123
            20  C1a C    17.5856  -10.2529
            21  C1a C    16.3696   -8.1403
            22  X   Cl   19.6726  -12.7729
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

» Japanese version   » Back

KEGG   DRUG: Dosulepin
Entry
D07872                      Drug                                   
Name
Dosulepin (INN);
Dothiepin;
Dothep (TN)
Formula
C19H21NS
Exact mass
295.1395
Mol weight
295.4417
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01730  Non-selective monoamine reuptake inhibitor
 DG01728  Tricyclic antidepressant
Metabolizing 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
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
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)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00940  Dosulepin
    D07872  Dosulepin
  DG01728  Tricyclic antidepressant
   DG00940  Dosulepin
    D07872  Dosulepin
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00940  Dosulepin
    D07872  Dosulepin
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07872  Dosulepin (INN)
    SLC6A4 (HTT)
     D07872  Dosulepin (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07872
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00940  Dosulepin
  DG01728  Tricyclic antidepressant
   DG00940  Dosulepin
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00940  Dosulepin
Other DBs
CAS: 113-53-1
PubChem: 96024568
LigandBox: D07872
NIKKAJI: J2.890H J524.977E
LinkDB
KCF data

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

» Japanese version   » Back

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