| Entry |
|
|---|
| Name |
Caficrestat (USAN/INN) |
|---|
| Formula |
C17H10F3N5O3S
|
|---|
| Exact mass |
421.0456
|
|---|
| Mol weight |
421.36
|
|---|
| Structure |
|
|---|
| Class |
Antidiabetic agent
DG01882 Aldose reductase inhibitor
|
|---|
| Efficacy |
Aldose reductase inhibitor |
|---|
| Comment |
Treatment of Diabetic Cardiomyopathy
|
|---|
| Target |
|
|---|
| Pathway |
| hsa00051 | Fructose and mannose metabolism |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antidiabetic agent
DG01882 Aldose reductase inhibitor
D12390 Caficrestat
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
AKR1B1
D12390 Caficrestat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 7.8400 -14.9100
2 C8x C 7.8400 -16.3100
3 N5x N 9.0524 -17.0100
4 C8y C 10.2649 -16.3100
5 C8y C 10.2649 -14.9100
6 N5x N 9.0524 -14.2100
7 C8y C 11.4773 -17.0100
8 N4y N 12.6897 -16.3100
9 N5x N 12.6897 -14.9100
10 C8y C 11.4773 -14.2100
11 O5x O 11.4773 -18.4100
12 C1b C 11.4773 -12.8100
13 C6a C 12.6918 -12.1088
14 O6a O 13.8883 -12.7998
15 O6a O 12.6918 -10.7102
16 C1b C 13.8873 -17.0015
17 C8y C 15.0756 -16.3155
18 S2x S 16.3311 -16.8746
19 C8y C 17.2508 -15.8532
20 C8y C 16.5637 -14.6629
21 N5x N 15.2193 -14.9486
22 C8x C 18.6508 -15.8533
23 C8x C 19.3509 -14.6410
24 C8y C 18.6638 -13.4506
25 C8x C 17.2638 -13.4505
26 C1d C 19.3748 -12.2189
27 X F 20.0748 -11.0065
28 X F 18.1623 -11.5189
29 X F 20.5872 -12.9189
BOND 32
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 1
10 9 10 2
11 5 10 1
12 7 11 2
13 10 12 1
14 12 13 1
15 13 14 1
16 13 15 2
17 8 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 17 21 2
24 19 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 20 25 2
29 24 26 1
30 26 27 1
31 26 28 1
32 26 29 1
|
|---|
