| Entry |
|
|---|
| Name |
Buparlisib (USAN/INN) |
|---|
| Formula |
C18H21F3N6O2
|
|---|
| Exact mass |
410.1678
|
|---|
| Mol weight |
410.39
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG01823 Buparlisib
D10584 Buparlisib
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3C
D10584 Buparlisib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG01823 Buparlisib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1x C 15.3293 -11.7595
2 C1x C 15.3293 -13.1594
3 N1y N 16.5416 -13.8593
4 C1x C 17.7540 -13.1594
5 C1x C 17.7540 -11.7595
6 O2x O 16.5416 -11.0595
7 C8y C 16.5416 -15.2590
8 N5x N 15.3125 -15.9689
9 C8y C 15.3127 -17.3688
10 C8x C 16.5251 -18.0686
11 C8y C 17.7542 -17.3588
12 N5x N 17.7540 -15.9589
13 N1y N 14.1171 -18.0592
14 C1x C 12.9214 -17.3689
15 C1x C 11.7091 -18.0688
16 O2x O 11.7091 -19.4687
17 C1x C 12.9047 -20.1591
18 C1x C 14.1171 -19.4591
19 C8y C 18.9854 -18.0696
20 C8y C 18.9852 -19.4588
21 C8x C 20.1975 -20.1589
22 C8y C 21.4099 -19.4591
23 N5x N 21.4100 -18.0698
24 C8x C 20.1978 -17.3698
25 C1d C 17.7606 -20.1657
26 X F 17.0607 -18.9534
27 X F 18.4606 -21.3781
28 X F 16.5483 -20.8656
29 N1a N 22.6288 -20.1631
BOND 32
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
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 9 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 11 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 19 24 1
28 20 25 1
29 25 26 1
30 25 27 1
31 25 28 1
32 22 29 1
|
|---|
