| Entry |
|
|---|
| Name |
Selvigaltin (USAN/INN) |
|---|
| Formula |
C19H16BrF3N4O4S
|
|---|
| Exact mass |
532.0028
|
|---|
| Mol weight |
533.32
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Galectin-3 inhibitor |
|---|
| Comment |
Treatment of liver disease and cancer
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Organismal systems
Immune system
LGALS3
D12763 Selvigaltin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C1y C 18.1793 -16.3543
2 C1y C 18.1793 -14.9504
3 C1y C 16.9859 -14.2484
4 C1y C 15.7223 -14.9504
5 O2x O 15.7223 -16.3543
6 C1y C 16.9859 -17.0563
7 O1a O 16.9859 -12.8444
8 S2a S 14.5290 -14.2484
9 N4y N 19.3726 -14.2484
10 C1b C 16.9859 -18.4603
11 O1a O 19.3726 -17.0563
12 O1a O 18.1793 -19.1622
13 C8y C 13.3356 -14.9504
14 C8x C 12.1422 -14.2484
15 N5x N 10.8787 -14.9504
16 C8x C 10.8787 -16.3543
17 C8y C 12.0721 -17.0563
18 C8x C 13.3356 -16.3543
19 X Br 12.0721 -18.4603
20 C8x C 20.5660 -15.0206
21 C8y C 21.6190 -14.1782
22 N5x N 21.1978 -12.9146
23 N5x N 19.7938 -12.9146
24 C8y C 22.8123 -14.8802
25 C8x C 22.8123 -16.2841
26 C8y C 24.0057 -16.9861
27 C8y C 25.2692 -16.2841
28 C8y C 25.2692 -14.8802
29 C8x C 24.0057 -14.1782
30 X F 26.4626 -16.9861
31 X F 24.0057 -18.3901
32 X F 26.4626 -14.1782
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 1 #Down
8 4 8 1 #Down
9 2 9 1 #Up
10 6 10 1 #Up
11 1 11 1 #Up
12 10 12 1
13 8 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 17 19 1
21 9 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 9 23 1
26 24 21 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 24 29 1
33 27 30 1
34 26 31 1
35 28 32 1
|
|---|
