| Entry |
|
|---|
| Name |
Gedatolisib (USAN/INN) |
|---|
| Formula |
C32H41N9O4
|
|---|
| Exact mass |
615.3282
|
|---|
| Mol weight |
615.73
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
D10635 Gedatolisib
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
MTOR
D10635 Gedatolisib (USAN/INN)
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3C
D10635 Gedatolisib (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 45
1 C1x C 12.5300 -12.1800
2 C1x C 12.5300 -13.5800
3 N1y N 13.7200 -14.2800
4 C1x C 14.9800 -13.5800
5 C1x C 14.9800 -12.1800
6 O2x O 13.7200 -11.4800
7 C8y C 13.7200 -15.6800
8 N5x N 12.5300 -16.3800
9 C8y C 12.5300 -17.7800
10 N5x N 13.7200 -18.4800
11 C8y C 14.9800 -17.7800
12 N5x N 14.9800 -16.3800
13 N1y N 11.3400 -18.4800
14 C1x C 10.1500 -17.7800
15 C1x C 8.8900 -18.4800
16 O2x O 8.8900 -19.8800
17 C1x C 10.0800 -20.5800
18 C1x C 11.3400 -19.8800
19 C8y C 16.1700 -18.4800
20 C8x C 16.1700 -19.8800
21 C8x C 17.4300 -20.5800
22 C8y C 18.6200 -19.8800
23 C8x C 18.6200 -18.4800
24 C8x C 17.4300 -17.7800
25 N1b N 19.8100 -20.5800
26 C5a C 21.0700 -19.8800
27 O5a O 21.0700 -18.4800
28 N1b N 22.2600 -20.5800
29 C8y C 23.4500 -19.8800
30 C8x C 23.4500 -18.4800
31 C8x C 24.7100 -20.5800
32 C8x C 25.9000 -19.8800
33 C8y C 25.9000 -18.4800
34 C8x C 24.7100 -17.7800
35 C1x C 28.3500 -19.8800
36 N1y N 28.3500 -18.4800
37 C5a C 27.0900 -17.7800
38 C1x C 29.5400 -20.5800
39 C1y C 30.7300 -19.8800
40 C1x C 30.7300 -18.4800
41 C1x C 29.5400 -17.7800
42 N1c N 31.9900 -20.5800
43 C1a C 33.1800 -19.8800
44 O5a O 27.0900 -16.3800
45 C1a C 31.9900 -21.9800
BOND 50
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 1
23 20 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 19 24 2
28 22 25 1
29 25 26 1
30 26 27 2
31 26 28 1
32 28 29 1
33 29 30 2
34 29 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 30 34 1
39 35 36 1
40 36 37 1
41 33 37 1
42 35 38 1
43 38 39 1
44 39 40 1
45 40 41 1
46 36 41 1
47 39 42 1
48 42 43 1
49 37 44 2
50 42 45 1
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