| Entry |
|
|---|
| Name |
Cadisegliatin (USAN) |
|---|
| Formula |
C21H33N3O4S2
|
|---|
| Exact mass |
455.1912
|
|---|
| Mol weight |
455.64
|
|---|
| Structure |
|
|---|
| Efficacy |
Antidiabetic, Glucokinase activator |
|---|
| Comment |
Adjunct to insulin therapy for the treatment of diabetes
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
GCK
D12320 Cadisegliatin (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 N1c N 13.9300 -14.8400
2 C5a C 15.1200 -15.5400
3 C1y C 12.7400 -15.5400
4 C1y C 13.9300 -13.4400
5 C1x C 11.5500 -14.8400
6 C1x C 10.2900 -15.5400
7 C1x C 10.2900 -16.9400
8 C1x C 11.4800 -17.6400
9 C1x C 12.7400 -16.9400
10 C1x C 15.1200 -12.7400
11 C1x C 15.1200 -11.3400
12 C1y C 13.9300 -10.6400
13 C1x C 12.7400 -11.3400
14 C1x C 12.7400 -12.7400
15 O2a O 13.9300 -9.2400
16 C1b C 12.7400 -8.5400
17 C1b C 11.5500 -9.2400
18 C1a C 10.3600 -8.5400
19 N1b N 16.3100 -14.8400
20 O5a O 15.1200 -16.9400
21 C8y C 17.5000 -15.5400
22 N5x N 17.9200 -16.8700
23 C8x C 19.3200 -16.8700
24 C8y C 19.8100 -15.5400
25 S2x S 18.6900 -14.7000
26 S2a S 21.0000 -14.8400
27 C1b C 22.1900 -15.5400
28 C6a C 23.3800 -14.8400
29 O6a O 24.5700 -15.5400
30 O6a O 23.3800 -13.4400
BOND 32
1 1 2 1
2 1 3 1
3 4 1 1 #Down
4 3 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 3 9 1
10 4 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 4 14 1
16 12 15 1 #Up
17 15 16 1
18 16 17 1
19 17 18 1
20 2 19 1
21 2 20 2
22 19 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 21 25 1
28 26 27 1
29 26 24 1
30 27 28 1
31 28 29 1
32 28 30 2
|
|---|
