KEGG   DRUG: Tiagabine
Entry
D08588                      Drug                                   
Name
Tiagabine (INN);
Gabitril (TN)
Formula
C20H25NO2S2
Exact mass
375.1327
Mol weight
375.55
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
PDB-CCD: TGI[PDBj]
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
TIAGABINE HYDROCHLORIDE (Amneal Pharmaceuticals NY LLC), TIAGABINE HYDROCHLORIDE (Northstar Rx LLC), TIAGABINE HYDROCHLORIDE (Novadoz Pharmaceuticals LLC), TIAGABINE HYDROCHLORIDE (Sun Pharmaceutical Industries), TIAGABINE HYDROCHLORIDE (Teva Pharmaceuticals USA)
Formula
C20H25NO2S2. HCl
Exact mass
411.1093
Mol weight
412.01
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
Drug classes [BR:br08332]
 Neuropsychiatric agent
  DG03199  Antiepileptic agent
   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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