| Entry |
|
|---|
| Name |
Taselisib (USAN/INN) |
|---|
| Formula |
C24H28N8O2
|
|---|
| Exact mass |
460.2335
|
|---|
| Mol weight |
460.53
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
D11774 Taselisib
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3C
D11774 Taselisib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C8x C 12.4600 -17.7800
2 C8y C 12.4600 -19.1800
3 C8x C 13.6500 -19.8800
4 C8y C 14.9100 -19.1800
5 C8y C 14.9100 -17.7800
6 C8x C 13.6500 -17.0800
7 C8y C 16.0300 -16.8700
8 N4y N 17.3600 -17.2200
9 C1x C 17.9900 -18.4800
10 C1x C 17.3600 -19.7400
11 O2x O 16.0300 -20.0200
12 C8y C 11.2700 -19.8800
13 C8x C 10.0800 -19.1100
14 N4y N 9.0300 -19.9500
15 N5x N 9.5200 -21.2100
16 C8x C 10.8500 -21.2100
17 C1d C 7.8400 -19.2500
18 C5a C 6.6500 -19.9500
19 N1a N 5.4600 -19.2500
20 O5a O 6.6500 -21.3500
21 C1a C 7.1400 -18.0600
22 C1a C 8.5400 -18.0600
23 C8x C 18.1039 -16.0632
24 C8y C 17.2336 -14.9983
25 N5x N 15.9519 -15.4969
26 C8y C 17.5937 -13.6308
27 N4y N 18.8715 -13.1341
28 N5x N 18.7940 -11.7653
29 C8y C 17.4682 -11.4161
30 N5x N 16.7264 -12.5690
31 C1c C 20.0809 -13.9120
32 C1a C 21.3253 -13.2712
33 C1a C 20.0827 -15.3279
34 C1a C 16.9634 -10.1169
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 8 9 1
8 9 10 1
9 7 8 1
10 4 11 1
11 5 7 1
12 10 11 1
13 2 12 1
14 12 13 2
15 13 14 1
16 14 15 1
17 15 16 2
18 12 16 1
19 17 14 1
20 17 18 1
21 18 19 1
22 18 20 2
23 17 21 1
24 17 22 1
25 8 23 1
26 23 24 2
27 24 25 1
28 7 25 2
29 24 26 1
30 26 27 1
31 27 28 1
32 28 29 2
33 29 30 1
34 26 30 2
35 27 31 1
36 31 32 1
37 31 33 1
38 29 34 1
|
|---|
