| Entry |
|
|---|
| Name |
Zopolrestat (USAN/INN);
Alond (TN) |
|---|
| Formula |
C19H12F3N3O3S
|
|---|
| Exact mass |
419.0551
|
|---|
| Mol weight |
419.3771
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antidiabetic agent
DG01882 Aldose reductase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidiabetic, Aldose reductase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa00051 | Fructose and mannose metabolism |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antidiabetic agent
DG01882 Aldose reductase inhibitor
D02328 Zopolrestat
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
AKR1B1
D02328 Zopolrestat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C8y C 20.2002 -17.7215
2 C8y C 20.2645 -19.1255
3 C8y C 21.4228 -17.0312
4 C8x C 18.9952 -17.0255
5 C8y C 21.4053 -19.8334
6 C8x C 18.9952 -19.8275
7 N5x N 22.6280 -17.7215
8 C1b C 21.4111 -15.6333
9 C8x C 17.7784 -17.7215
10 N4y N 22.6163 -19.1255
11 O5x O 21.3994 -21.2256
12 C8x C 17.7784 -19.1255
13 C6a C 22.6163 -14.9255
14 C1b C 23.8271 -19.8334
15 O6a O 23.8329 -15.6273
16 O6a O 22.6220 -13.5272
17 C8y C 25.0438 -19.1314
18 N5x N 25.1960 -17.7392
19 S2x S 26.3249 -19.7046
20 C8y C 26.5589 -17.4467
21 C8y C 27.2609 -18.6633
22 C8x C 27.2668 -16.2298
23 C8x C 28.6588 -18.6633
24 C8y C 28.6648 -16.2358
25 C8x C 29.3551 -17.4467
26 C1d C 29.6533 -15.2414
27 X F 30.6433 -14.2514
28 X F 28.6838 -14.2746
29 X F 30.6665 -16.2515
BOND 32
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 2
12 8 13 1
13 10 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 17 18 2
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 22 24 2
24 23 25 2
25 24 26 1
26 7 10 1
27 9 12 1
28 20 21 2
29 24 25 1
30 26 27 1
31 26 28 1
32 26 29 1
|
|---|
