KEGG   DRUG: Tiagabine
Entry
D08588                      Drug                                   
Name
Tiagabine (INN);
Gabitril (TN)
Formula
C20H25NO2S2
Exact mass
375.1327
Mol weight
375.548
Structure
Simcomp
Class
Neuropsychiatric agent
 DG03199  Antiepileptic agent
  DG02037  GABA mimetic antiepileptic
Remark
Same as: C07503
ATC code: N03AG06
Chemical structure group: DG00850
Product (DG00850): D02097<US>
Efficacy
Anticonvulsant, Antiepileptic
Target
SLC6A1 (GAT1) [HSA:6529] [KO:K05034]
  Pathway
hsa04727  GABAergic synapse
Interaction
Structure map
map07033  Anticonvulsants
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AG Fatty acid derivatives
     N03AG06 Tiagabine
      D08588  Tiagabine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02037  GABA mimetic antiepileptic
    DG00850  Tiagabine
     D08588  Tiagabine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A1 (GAT1)
     D08588  Tiagabine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02037  GABA mimetic antiepileptic
    DG00850  Tiagabine
Other DBs
CAS: 115103-54-3
PubChem: 96025272
ChEBI: 9586
LigandBox: D08588
NIKKAJI: J390.632I
LinkDB
KCF data

ATOM        25
            1   C2c C    21.6300  -18.5500
            2   C8y C    20.4400  -19.2500
            3   C8y C    21.6300  -17.1500
            4   C2b C    22.8200  -19.2500
            5   C8y C    20.3000  -20.6500
            6   S2x S    19.1800  -18.6900
            7   C8y C    22.7500  -16.3100
            8   S2x S    20.5100  -16.3100
            9   C1b C    24.0800  -18.5500
            10  C8x C    18.9000  -20.9300
            11  C1a C    21.3500  -21.5600
            12  C8x C    18.2000  -19.7400
            13  C8x C    22.3300  -14.9800
            14  C1a C    24.0800  -16.7300
            15  C8x C    20.9300  -14.9800
            16  C1b C    25.2700  -19.2500
            17  N1y N    26.4600  -18.5500
            18  C1x C    26.4600  -17.1500
            19  C1x C    27.7200  -19.2500
            20  C1y C    27.7200  -16.4500
            21  C1x C    28.9100  -18.5500
            22  C1x C    28.9100  -17.1500
            23  C6a C    28.9100  -15.7500
            24  O6a O    30.1000  -16.4500
            25  O6a O    28.9100  -14.3500
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1 #Down
            23   23  24 1
            24   23  25 2
            25   10  12 2
            26   13  15 2
            27   21  22 1

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KEGG   DRUG: Tiagabine hydrochloride
Entry
D02097                      Drug                                   
Name
Tiagabine hydrochloride (USP);
Gabitril (TN)
Product
  Generic
Formula
C20H25NO2S2. HCl
Exact mass
411.1093
Mol weight
412.0089
Structure
Simcomp
Class
Neuropsychiatric agent
 DG03199  Antiepileptic agent
  DG02037  GABA mimetic antiepileptic
Remark
ATC code: N03AG06
Chemical structure group: DG00850
Product (DG00850): D02097<US>
Efficacy
Anticonvulsant, Antiepileptic
Target
SLC6A1 (GAT1) [HSA:6529] [KO:K05034]
  Pathway
hsa04727  GABAergic synapse
Interaction
Structure map
map07033  Anticonvulsants
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N03 ANTIEPILEPTICS
   N03A ANTIEPILEPTICS
    N03AG Fatty acid derivatives
     N03AG06 Tiagabine
      D02097  Tiagabine hydrochloride (USP) <US>
USP drug classification [BR:br08302]
 Anticonvulsants
  Gamma-aminobutyric Acid (GABA) Augmenting Agents
   GABA Agents, Other
    Tiagabine
     D02097  Tiagabine hydrochloride (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02037  GABA mimetic antiepileptic
    DG00850  Tiagabine
     D02097  Tiagabine hydrochloride
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A1 (GAT1)
     D02097  Tiagabine hydrochloride (USP) <US>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   DG02037  GABA mimetic antiepileptic
    DG00850  Tiagabine
Other DBs
CAS: 145821-59-6
PubChem: 7849158
ChEBI: 85388
LigandBox: D02097
LinkDB
KCF data

ATOM        26
            1   C2c C    21.3580  -18.5145
            2   C8y C    20.1458  -19.2141
            3   C8y C    21.3580  -17.1100
            4   C2b C    22.5703  -19.2141
            5   C8y C    20.0058  -20.6012
            6   S2x S    18.8693  -18.6487
            7   C8y C    22.4944  -16.2940
            8   S2x S    20.2274  -16.2940
            9   C1b C    23.7768  -18.5145
            10  C8x C    18.6362  -20.8984
            11  C1a C    21.0492  -21.5397
            12  C8x C    17.9367  -19.6861
            13  C8x C    22.0633  -14.9594
            14  C1a C    23.8235  -16.7253
            15  C8x C    20.6586  -14.9594
            16  C1b C    24.9891  -19.2141
            17  N1y N    26.2015  -18.5145
            18  C1x C    26.2015  -17.1100
            19  C1x C    27.4196  -19.2141
            20  C1y C    27.4196  -16.4164
            21  C1x C    28.6203  -18.5145
            22  C1x C    28.6203  -17.1100
            23  C6a C    28.6203  -15.6995
            24  O6a O    29.8385  -16.3989
            25  O6a O    28.6087  -14.3007
            26  X   Cl   31.9203  -19.9269
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1 #Down
            23   23  24 1
            24   23  25 2
            25   10  12 2
            26   13  15 2
            27   21  22 1

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