| Entry |
|
|---|
| Name |
Tolrestat (USAN/INN);
Alredase (TN)
|
|---|
| Formula |
C16H14F3NO3S
|
|---|
| Exact mass |
357.0646
|
|---|
| Mol weight |
357.3475
|
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| Structure |
     |
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| Activity |
|
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| Remark |
|
|---|
| Target |
aldose reductase inhibitor [HSA: 231] [KO: K00011] |
|---|
| Pathway |
hsa00051 Fructose and mannose metabolism | |
|
|---|
| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A10 DRUGS USED IN DIABETES
A10X OTHER DRUGS USED IN DIABETES
A10XA Aldose reductase inhibitors
A10XA01 Tolrestat
D02323 Tolrestat (USAN/INN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases
aldose reductase [HSA:231] [KO:K00011]
Tolrestat [ATC:A10XA01]
D02323 Tolrestat (USAN/INN)
 |
|---|
| Other DBs |
CAS: 82964-04-3 PubChem: DrugBank: PDB-CCD: LigandBox: NIKKAJI: |
|---|
| KCF data |
ATOM 24
1 C8y C 21.4118 -15.8743
2 C8y C 21.4118 -17.2621
3 C8y C 22.6160 -15.1643
4 C8x C 20.2013 -15.1834
5 C8y C 20.2013 -17.9718
6 C8x C 22.6287 -17.9657
7 C8x C 23.8645 -15.8743
8 C2c C 22.6095 -13.7828
9 C8x C 19.0036 -15.8743
10 C8y C 19.0036 -17.2621
11 C1d C 20.2649 -19.3472
12 C8x C 23.8919 -17.2686
13 N1c N 23.8011 -13.0921
14 S0 S 21.4118 -13.0983
15 O2a O 17.8121 -17.9465
16 X F 19.0736 -20.0317
17 X F 21.4564 -20.0381
18 X F 20.2460 -20.9011
19 C1b C 25.3538 -13.9412
20 C1a C 23.7949 -11.7103
21 C1a C 16.6206 -17.2559
22 C6a C 26.5326 -13.2313
23 O6a O 27.7368 -13.8969
24 O6a O 26.5412 -11.8498
BOND 25
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 2
10 5 11 1
11 6 12 2
12 8 13 1
13 8 14 2
14 10 15 1
15 11 16 1
16 11 17 1
17 11 18 1
18 13 19 1
19 13 20 1
20 15 21 1
21 19 22 1
22 22 23 1
23 22 24 2
24 7 12 1
25 9 10 1
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