| Entry |
|
|---|
| Name |
Hydromethylthionine (USAN/INN) |
|---|
| Formula |
C16H19N3S
|
|---|
| Exact mass |
285.13
|
|---|
| Mol weight |
285.4072
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Tau protein inhibitor |
|---|
| Comment |
Treatment of Alzheimer's disease (AD)
|
|---|
| Target |
|
|---|
| Pathway |
| hsa05022 | Pathways of neurodegeneration - multiple diseases |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
MAPT (TAU)
D11427 Hydromethylthionine (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 C8y C 17.4301 -14.7558
2 C8y C 17.4301 -16.2100
3 S2x S 18.6073 -16.9025
4 C8y C 19.8538 -16.2100
5 C8y C 19.8538 -14.7558
6 N5x N 18.6073 -14.0634
7 C8x C 21.1003 -16.9025
8 C8y C 22.2775 -16.2100
9 C8x C 22.2775 -14.7558
10 C8x C 21.1003 -14.0634
11 C8x C 16.2529 -14.0634
12 C8x C 15.0064 -14.7558
13 C8y C 15.0064 -16.2100
14 C8x C 16.2529 -16.9025
15 N1c N 23.4547 -16.9025
16 C1a C 24.6319 -16.2100
17 C1a C 23.4547 -18.2875
18 N1c N 13.8292 -16.9025
19 C1a C 12.6520 -16.2100
20 C1a C 13.8292 -18.2875
BOND 22
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 1 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 2 14 1
17 8 15 1
18 15 16 1
19 15 17 1
20 13 18 1
21 18 19 1
22 18 20 1
|
|---|
