| Entry |
|
|---|
| Name |
Ponalrestat (USAN/INN) |
|---|
| Formula |
C17H12BrFN2O3
|
|---|
| Exact mass |
390.0015
|
|---|
| Mol weight |
391.19
|
|---|
| Structure |
|
|---|
| Class |
Antidiabetic agent
DG01882 Aldose reductase inhibitor
|
|---|
| Efficacy |
Aldose reductase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa00051 | Fructose and mannose metabolism |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antidiabetic agent
DG01882 Aldose reductase inhibitor
D03806 Ponalrestat
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
AKR1B1
D03806 Ponalrestat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C8y C 29.8900 -18.9700
2 C8y C 29.8900 -20.3700
3 C8y C 31.0800 -18.2700
4 C8x C 28.7000 -18.2700
5 C8y C 31.0800 -21.0700
6 C8x C 28.7000 -21.0700
7 N5x N 32.2700 -18.9700
8 C1b C 31.0800 -16.8700
9 C8x C 27.4400 -18.9700
10 N4y N 32.2700 -20.3700
11 O5x O 31.0800 -22.4700
12 C8x C 27.4400 -20.3700
13 C6a C 32.2700 -16.1700
14 O6a O 33.5300 -16.8700
15 O6a O 32.2700 -14.7700
16 C1b C 33.4824 -21.0700
17 C8y C 34.6949 -20.3700
18 C8y C 35.9260 -21.0810
19 C8x C 37.1385 -20.3812
20 C8y C 37.1387 -18.9812
21 C8x C 35.9076 -18.2702
22 C8x C 34.6951 -18.9700
23 X F 35.9257 -22.4699
24 X Br 38.3795 -18.2649
BOND 26
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 13 14 1
14 13 15 2
15 7 10 1
16 9 12 1
17 10 16 1
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 18 23 1
26 20 24 1
|
|---|
