| Entry |
|
|---|
| Name |
Gavestinel (USAN/INN) |
|---|
| Formula |
C18H12Cl2N2O3
|
|---|
| Exact mass |
374.0225
|
|---|
| Mol weight |
375.20
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01498 NMDA receptor antagonist
|
|---|
| Efficacy |
Stroke treatment, NMDA receptor antagonist |
|---|
| Comment |
Treatment of stroke
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01498 NMDA receptor antagonist
D04308 Gavestinel
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Glutamate (ionotropic), NMDA
GRIN (NMDAR)
D04308 Gavestinel (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C8x C 27.0926 -18.4149
2 C8y C 27.0926 -19.8153
3 C8x C 28.3054 -20.5155
4 C8y C 29.5183 -19.8153
5 C8y C 29.5183 -18.4149
6 C8y C 28.3054 -17.7146
7 N4x N 30.8503 -20.2481
8 C8y C 31.6734 -19.1151
9 C8y C 30.8503 -17.9821
10 C6a C 33.0446 -19.1151
11 O6a O 33.7448 -20.3279
12 O6a O 33.7448 -17.9023
13 X Cl 28.3054 -16.3144
14 X Cl 25.8798 -20.5155
15 C2b C 30.8503 -16.5821
16 C2b C 32.0739 -15.8754
17 C5a C 32.0737 -14.4901
18 O5a O 30.8509 -13.7843
19 N1b N 33.2757 -13.7957
20 C8y C 34.4664 -14.4830
21 C8x C 34.4667 -15.8897
22 C8x C 35.6793 -16.5895
23 C8x C 36.8916 -15.8893
24 C8x C 36.8913 -14.4825
25 C8x C 35.6787 -13.7828
BOND 27
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 10 12 2
14 6 13 1
15 2 14 1
16 9 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 17 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 20 25 1
|
|---|
