| Entry |
|
|---|
| Name |
Dactolisib tosylate (USAN) |
|---|
| Formula |
C30H23N5O. C7H8O3S
|
|---|
| Exact mass |
641.2097
|
|---|
| Mol weight |
641.74
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG01826 Dactolisib
D10616 Dactolisib tosylate
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
MTOR
D10616 Dactolisib tosylate (USAN)
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3C
D10616 Dactolisib tosylate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG01826 Dactolisib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 47
1 C8y C 15.9600 -13.3000
2 C8y C 15.9600 -11.8300
3 C8x C 14.7700 -11.1300
4 N5x N 13.5100 -11.8300
5 C8y C 13.5100 -13.3000
6 C8y C 14.7700 -14.0000
7 C8x C 12.3200 -14.0000
8 C8x C 12.3200 -15.3300
9 C8y C 13.5100 -16.0300
10 C8x C 14.7700 -15.3300
11 C8y C 13.5100 -17.4300
12 C8x C 12.3200 -18.1300
13 C8y C 12.3200 -19.5300
14 C8y C 13.5100 -20.2300
15 N5x N 14.7700 -19.5300
16 C8x C 14.7700 -18.1300
17 C8x C 11.1300 -20.2300
18 C8x C 11.1300 -21.6300
19 C8x C 12.3200 -22.3300
20 C8x C 13.5100 -21.6300
21 N4y N 17.3600 -13.7200
22 C8y C 18.1300 -12.5300
23 N4y N 17.3600 -11.4100
24 O5x O 19.5300 -12.5300
25 C1a C 17.7100 -10.0800
26 C8y C 17.9200 -14.9800
27 C8x C 17.2200 -16.1700
28 C8x C 17.9200 -17.4300
29 C8y C 19.3200 -17.4300
30 C8x C 20.0200 -16.2400
31 C8x C 19.3200 -14.9800
32 C1d C 19.9500 -18.6900
33 C3b C 20.5100 -19.9500
34 C1a C 18.7600 -19.3900
35 C1a C 21.2100 -17.9900
36 N3a N 21.0700 -21.2100
37 C8y C 24.7286 -16.6731
38 C8x C 23.5377 -17.3736
39 C8x C 25.9897 -17.3736
40 S4a S 24.7286 -15.2719
41 C8x C 23.5377 -18.7748
42 C8x C 25.9897 -18.7748
43 O1d O 23.3275 -15.2719
44 O1d O 26.1298 -15.2719
45 O1d O 24.7286 -13.9408
46 C8y C 24.7286 -19.4754
47 C1a C 24.7286 -20.8765
BOND 52
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 6 10 1
12 9 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 13 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 14 20 1
24 1 21 1
25 21 22 1
26 22 23 1
27 2 23 1
28 22 24 2
29 23 25 1
30 21 26 1
31 26 27 2
32 27 28 1
33 28 29 2
34 29 30 1
35 30 31 2
36 29 32 1
37 32 33 1
38 32 34 1
39 32 35 1
40 33 36 3
41 26 31 1
42 37 38 1
43 37 39 2
44 37 40 1
45 38 41 2
46 39 42 1
47 40 43 2
48 40 44 2
49 40 45 1
50 41 46 1
51 42 46 2
52 46 47 1
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