| Entry |
|
|---|
| Name |
Samotolisib (USAN) |
|---|
| Formula |
C23H26N4O3
|
|---|
| Exact mass |
406.2005
|
|---|
| Mol weight |
406.48
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor, mTOR inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
D11501 Samotolisib
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
MTOR
D11501 Samotolisib (USAN)
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3C
D11501 Samotolisib (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 30
1 C8y C 17.0820 -17.5105
2 C8x C 15.8864 -16.7821
3 C8x C 15.9078 -15.4017
4 C8y C 17.1611 -14.6899
5 C8y C 18.3567 -15.4183
6 C8x C 18.3690 -16.8585
7 N5x N 17.1825 -13.3094
8 C8x C 18.3994 -12.6574
9 C8y C 19.5950 -13.3858
10 C8y C 19.5737 -14.7662
11 N4y N 20.9185 -12.9625
12 C8y C 21.7629 -14.1327
13 N4y N 20.9149 -15.2555
14 C1a C 21.4077 -11.6213
15 O5x O 23.1433 -14.1541
16 C1b C 21.3017 -16.6387
17 C1c C 20.3109 -17.5924
18 C8y C 17.0607 -18.8910
19 C8x C 18.2563 -19.6194
20 N5x N 18.2685 -21.0596
21 C8x C 16.9816 -21.7117
22 C8y C 15.7860 -20.9833
23 C8x C 15.8073 -19.6028
24 C1d C 14.5690 -21.6353
25 O1a O 13.3157 -22.3471
26 C1a C 15.2211 -22.8522
27 C1a C 13.9170 -20.4184
28 O2a O 20.7341 -18.9158
29 C1a C 18.9201 -17.3189
30 C1a C 19.7666 -19.9658
BOND 33
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 10 13 1
16 11 14 1
17 12 15 2
18 13 16 1
19 16 17 1
20 1 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 18 23 1
27 22 24 1
28 24 25 1
29 24 26 1
30 24 27 1
31 17 28 1
32 17 29 1 #Up
33 28 30 1
|
|---|