| Entry |
|
|---|
| 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 |
| Product (DG00850): | D02097<US> |
|
|---|
| Efficacy |
Anticonvulsant, Antiepileptic |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Structure map |
|
|---|
| 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 |
|
|---|
| 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
|
|---|
