| Entry |
|
|---|
| Name |
Nemiralisib (USAN/INN) |
|---|
| Formula |
C26H28N6O
|
|---|
| Exact mass |
440.2325
|
|---|
| Mol weight |
440.5401
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiasthmatic, Anti-inflammatory, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG02995 Nemiralisib
D11267 Nemiralisib
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3CD
D11267 Nemiralisib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG02995 Nemiralisib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 20.5800 -17.7800
2 C8y C 20.5800 -19.1800
3 C8x C 19.3900 -19.8800
4 C8y C 18.1300 -19.1800
5 C8x C 18.1300 -17.7800
6 C8y C 19.3900 -17.0800
7 C8x C 21.9100 -17.3600
8 N5x N 22.7500 -18.4800
9 N4x N 21.9100 -19.6000
10 C8y C 16.9400 -19.8800
11 C8y C 16.9400 -21.2800
12 C8y C 15.6800 -21.9800
13 C8x C 14.4900 -21.2800
14 C8x C 14.4900 -19.8800
15 C8x C 15.6800 -19.1800
16 C8x C 17.9900 -22.1900
17 C8x C 17.4300 -23.5200
18 N4x N 16.0300 -23.3800
19 C8y C 19.3900 -15.6800
20 O2x O 20.5100 -14.8400
21 C8y C 20.0900 -13.5800
22 C8x C 18.6900 -13.5800
23 N5x N 18.2700 -14.8400
24 C1b C 20.9300 -12.4600
25 N1y N 22.3300 -12.4600
26 C1x C 23.0300 -13.6500
27 C1x C 24.4300 -13.6500
28 N1y N 25.1300 -12.4600
29 C1x C 24.4300 -11.2000
30 C1x C 23.0300 -11.2000
31 C1c C 26.5300 -12.4600
32 C1a C 27.2300 -11.2700
33 C1a C 27.2300 -13.6500
BOND 38
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 1 7 1
8 7 8 2
9 8 9 1
10 2 9 1
11 4 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 11 16 1
19 16 17 2
20 17 18 1
21 12 18 1
22 6 19 1
23 19 20 1
24 20 21 1
25 21 22 2
26 22 23 1
27 19 23 2
28 21 24 1
29 24 25 1
30 25 26 1
31 26 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 25 30 1
36 28 31 1
37 31 32 1
38 31 33 1
|
|---|
