| Entry |
|
|---|
| Name |
Nemiralisib succinate (USAN) |
|---|
| Formula |
(C26H28N6O)2. C4H6O4
|
|---|
| Exact mass |
998.4915
|
|---|
| Mol weight |
999.17
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiasthmatic, Anti-inflammatory, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Comment |
Treatment of COPD and asthma
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG02995 Nemiralisib
D11354 Nemiralisib succinate
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3CD
D11354 Nemiralisib succinate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG02995 Nemiralisib
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 74
1 C8y C 18.3392 -16.5893
2 C8y C 18.3392 -17.9892
3 C8x C 17.1493 -18.6892
4 C8y C 15.8893 -17.9892
5 C8x C 15.8893 -16.5893
6 C8y C 17.1493 -15.8893
7 C8x C 19.6692 -16.1693
8 N5x N 20.5091 -17.2893
9 N4x N 19.6692 -18.4092
10 C8y C 14.6994 -18.6892
11 C8y C 14.6994 -20.0891
12 C8y C 13.4394 -20.7891
13 C8x C 12.2495 -20.0891
14 C8x C 12.2495 -18.6892
15 C8x C 13.4394 -17.9892
16 C8x C 15.7493 -20.9991
17 C8x C 15.1893 -22.3290
18 N4x N 13.7894 -22.1890
19 C8y C 17.1493 -14.4894
20 O2x O 18.2692 -13.6494
21 C8y C 17.8492 -12.3895
22 C8x C 16.4493 -12.3895
23 N5x N 16.0293 -13.6494
24 C1b C 18.6892 -11.2695
25 N1y N 20.0891 -11.2695
26 C1x C 20.7891 -12.4595
27 C1x C 22.1890 -12.4595
28 N1y N 22.8890 -11.2695
29 C1x C 22.1890 -10.0096
30 C1x C 20.7891 -10.0096
31 C1c C 24.2890 -11.2695
32 C1a C 24.9889 -10.0796
33 C1a C 24.9889 -12.4595
34 C6a C 32.6200 -16.6600
35 C1b C 33.8324 -17.3600
36 O6a O 31.4076 -17.3600
37 O6a O 32.6200 -15.2600
38 C1b C 35.0279 -16.6696
39 C6a C 36.2153 -17.3551
40 O6a O 37.4065 -16.6671
41 O6a O 36.2155 -18.7598
42 C8y C 18.3392 -16.5893
43 C8y C 18.3392 -17.9892
44 C8x C 17.1493 -18.6892
45 C8y C 15.8893 -17.9892
46 C8x C 15.8893 -16.5893
47 C8y C 17.1493 -15.8893
48 C8y C 17.1493 -14.4894
49 O2x O 18.2692 -13.6494
50 C8y C 17.8492 -12.3895
51 C8x C 16.4493 -12.3895
52 N5x N 16.0293 -13.6494
53 C1b C 18.6892 -11.2695
54 N1y N 20.0891 -11.2695
55 C1x C 20.7891 -12.4595
56 C1x C 22.1890 -12.4595
57 N1y N 22.8890 -11.2695
58 C1x C 22.1890 -10.0096
59 C1x C 20.7891 -10.0096
60 C1c C 24.2890 -11.2695
61 C1a C 24.9889 -10.0796
62 C1a C 24.9889 -12.4595
63 C8y C 14.6994 -18.6892
64 C8y C 14.6994 -20.0891
65 C8y C 13.4394 -20.7891
66 C8x C 12.2495 -20.0891
67 C8x C 12.2495 -18.6892
68 C8x C 13.4394 -17.9892
69 N4x N 13.7894 -22.1890
70 C8x C 15.1893 -22.3290
71 C8x C 15.7493 -20.9991
72 N4x N 19.6692 -18.4092
73 N5x N 20.5091 -17.2893
74 C8x C 19.6692 -16.1693
BOND 83
1 34 35 1
2 34 36 1
3 34 37 2
4 35 38 1
5 38 39 1
6 39 40 1
7 39 41 2
8 1 2 2
9 2 3 1
10 3 4 2
11 4 5 1
12 5 6 2
13 1 6 1
14 1 7 1
15 7 8 2
16 8 9 1
17 2 9 1
18 4 10 1
19 10 11 2
20 11 12 1
21 12 13 2
22 13 14 1
23 14 15 2
24 10 15 1
25 11 16 1
26 16 17 2
27 17 18 1
28 12 18 1
29 6 19 1
30 19 20 1
31 20 21 1
32 21 22 2
33 22 23 1
34 19 23 2
35 21 24 1
36 24 25 1
37 25 26 1
38 26 27 1
39 27 28 1
40 28 29 1
41 29 30 1
42 25 30 1
43 28 31 1
44 31 32 1
45 31 33 1
46 42 43 2
47 43 44 1
48 44 45 2
49 45 46 1
50 46 47 2
51 42 47 1
52 42 74 1
53 74 73 2
54 73 72 1
55 43 72 1
56 45 63 1
57 63 64 2
58 64 65 1
59 65 66 2
60 66 67 1
61 67 68 2
62 63 68 1
63 64 71 1
64 71 70 2
65 70 69 1
66 65 69 1
67 47 48 1
68 48 49 1
69 49 50 1
70 50 51 2
71 51 52 1
72 48 52 2
73 50 53 1
74 53 54 1
75 54 55 1
76 55 56 1
77 56 57 1
78 57 58 1
79 58 59 1
80 54 59 1
81 57 60 1
82 60 61 1
83 60 62 1
BRACKET 1 11.3400 -23.6600 11.3400 -8.3300
1 27.3700 -8.3300 27.3700 -23.6600
1 2
ORIGINAL 1 1 2 3 4 5 6 19 20 21 22 23 24 25 26 27 28
1 29 30 31 32 33 10 11 12 13 14 15 18 17 16 9 8
1 7
REPEAT 1 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57
1 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73
1 74
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