| Entry |
|
|---|
| Name |
Fidrisertib (USAN/INN) |
|---|
| Formula |
C31H42N6O4
|
|---|
| Exact mass |
562.3268
|
|---|
| Mol weight |
562.70
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
ALK2 protein activity inhibitor |
|---|
| Comment |
Treatment of fibrodysplasia ossificans progressiva
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
| hsa04550 | Signaling pathways regulating pluripotency of stem cells |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor serine/threonine kinases (RSTK)
TGFBR1 family
ACVR1 (ALK2)
D12711 Fidrisertib (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 41
1 C8x C 32.4800 -13.5800
2 C8x C 32.4800 -14.9800
3 C8y C 33.6924 -15.6800
4 C8y C 34.9049 -14.9800
5 N4y N 34.9049 -13.5800
6 N5x N 33.6924 -12.8800
7 C8x C 36.2364 -15.4126
8 C8y C 37.0593 -14.2800
9 C8x C 36.2364 -13.1474
10 C8y C 38.4300 -14.2800
11 C8x C 39.1300 -15.4924
12 C8x C 40.5300 -15.4924
13 C8y C 41.2300 -14.2800
14 C8x C 40.5300 -13.0676
15 N5x N 39.1300 -13.0676
16 C1z C 42.6300 -14.2800
17 C1x C 43.3300 -15.4924
18 C1x C 44.7300 -15.4924
19 N1y N 45.4300 -14.2800
20 C1x C 44.7300 -13.0676
21 C1x C 43.3300 -13.0676
22 C1c C 46.8300 -14.2800
23 C1a C 47.5300 -15.4924
24 C1a C 47.5300 -13.0676
25 O2a O 41.9300 -15.4924
26 C1b C 41.9300 -16.8924
27 C1a C 40.7273 -17.5866
28 N1y N 33.6924 -17.0798
29 C1x C 32.4632 -17.7897
30 C1x C 32.4634 -19.1897
31 N1y N 33.6759 -19.8896
32 C1x C 34.9051 -19.1797
33 C1x C 34.9049 -17.7797
34 C7a C 33.6760 -21.2800
35 O7a O 34.8840 -21.9773
36 O6a O 32.4591 -21.9827
37 C1y C 36.0771 -21.2882
38 C1x C 37.3305 -21.8460
39 O2x O 38.2483 -20.8264
40 C1x C 37.5622 -19.6383
41 C1x C 36.2203 -19.9238
BOND 46
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 13 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 16 21 1
25 19 22 1
26 22 23 1
27 22 24 1
28 16 25 1
29 25 26 1
30 26 27 1
31 3 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 28 33 1
38 31 34 1
39 34 35 1
40 34 36 2
41 37 35 1 #Down
42 37 38 1
43 38 39 1
44 39 40 1
45 40 41 1
46 37 41 1
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