| Entry |
|
|---|
| Name |
Elenestinib (USAN) |
|---|
| Formula |
C27H29FN10O
|
|---|
| Exact mass |
528.2510
|
|---|
| Mol weight |
528.58
|
|---|
| Structure |
|
|---|
| Efficacy |
Autoimmune disease treatment |
|---|
| Comment |
Treatment of indolent systemic mastocytosis
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
PDGFR family
KIT (CD117)
D12450 Elenestinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C8x C 22.5970 -24.5816
2 C8y C 22.5970 -23.2447
3 C8x C 23.7932 -22.5410
4 C8x C 25.0598 -23.2447
5 C8y C 25.0598 -24.5816
6 C8x C 23.7932 -25.2853
7 X F 26.2561 -25.2853
8 C1d C 21.4008 -22.5410
9 C8y C 20.2046 -23.2447
10 C8x C 20.2046 -24.5816
11 N5x N 18.9380 -25.2853
12 C8y C 17.7418 -24.5816
13 N5x N 17.7418 -23.2447
14 C8x C 18.9380 -22.5410
15 N1y N 16.5455 -25.2853
16 C1x C 16.5455 -26.6926
17 C1x C 15.2789 -27.3963
18 N1y N 14.1531 -26.6926
19 C1x C 14.1531 -25.2853
20 C1x C 15.2789 -24.5816
21 C8y C 12.9569 -27.3963
22 N5x N 12.9569 -28.8036
23 C8x C 11.6903 -29.5073
24 N5x N 10.4941 -28.8036
25 N4y N 10.4941 -27.3963
26 C8y C 11.6903 -26.6926
27 C8x C 9.4386 -26.4815
28 C8y C 10.0015 -25.1446
29 C8x C 11.4088 -25.2853
30 C8y C 9.2978 -24.0187
31 C8x C 7.8905 -23.8780
32 N5x N 7.6091 -22.4706
33 N4y N 8.8053 -21.7670
34 C8x C 9.8608 -22.6817
35 C1b C 8.9460 -20.3597
36 C1a C 20.4157 -21.5559
37 N1a N 22.3859 -21.5559
38 C1b C 10.2297 -19.7802
39 O1a O 11.3741 -20.6025
BOND 44
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 5 7 1
8 2 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 12 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 18 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 1
29 21 26 1
30 25 27 1
31 27 28 2
32 28 29 1
33 26 29 2
34 28 30 1
35 30 31 1
36 31 32 2
37 32 33 1
38 33 34 1
39 30 34 2
40 33 35 1
41 8 36 1 #Down
42 8 37 1 #Up
43 35 38 1
44 38 39 1
|
|---|
