| Entry |
|
|---|
| Name |
Minalrestat (USAN/INN) |
|---|
| Formula |
C19H11BrF2N2O4
|
|---|
| Exact mass |
447.987
|
|---|
| Mol weight |
449.2024
|
|---|
| Structure |
|
|---|
| Class |
Antidiabetic agent
DG01882 Aldose reductase inhibitor
|
|---|
| Efficacy |
Hypoglycemic, Aldose reductase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa00051 | Fructose and mannose metabolism |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antidiabetic agent
DG01882 Aldose reductase inhibitor
D03805 Minalrestat
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
AKR1B1
D03805 Minalrestat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 28
1 C8y C 31.0100 -18.8300
2 C8x C 31.0100 -20.1600
3 C8x C 32.2000 -20.8600
4 C8x C 32.2000 -18.1300
5 C8y C 33.3900 -18.8300
6 C8y C 33.3900 -20.1600
7 C5x C 34.5800 -20.8600
8 N1y N 35.8400 -20.1600
9 C5x C 35.8400 -18.8300
10 C1z C 34.6500 -18.1300
11 C1x C 35.8400 -17.4300
12 C5x C 33.3900 -17.4300
13 N1x N 33.7400 -16.1000
14 C5x C 35.4200 -16.1000
15 O5x O 36.2600 -14.9800
16 X F 29.8200 -18.1300
17 O5x O 32.0600 -17.4300
18 O5x O 34.5628 -22.2599
19 O5x O 37.0553 -18.1349
20 C1b C 37.0524 -20.8600
21 C8y C 38.2649 -20.1600
22 C8y C 39.4960 -20.8710
23 C8x C 40.7085 -20.1712
24 C8y C 40.7087 -18.7712
25 C8x C 39.4776 -18.0602
26 C8x C 38.2651 -18.7600
27 X F 39.4957 -22.2599
28 X Br 41.9495 -18.0549
BOND 31
1 9 10 1
2 10 5 1
3 1 2 2
4 2 3 1
5 3 6 2
6 10 11 1
7 5 4 2
8 10 12 1
9 4 1 1
10 12 13 1
11 5 6 1
12 11 14 1
13 13 14 1
14 6 7 1
15 14 15 2
16 7 8 1
17 1 16 1
18 8 9 1
19 12 17 2
20 7 18 2
21 9 19 2
22 8 20 1
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
30 22 27 1
31 24 28 1
|
|---|
