| Entry |
|
|---|
| Name |
Umbralisib tosylate (USAN);
Ukoniq (TN) |
|---|
| Formula |
C31H24F3N5O3. C7H8O3S
|
|---|
| Exact mass |
743.2025
|
|---|
| Mol weight |
743.7508
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Disease |
Follicular lymphoma [DS: H01613] |
|---|
| Comment |
Treatment of cancer and B-cell related disorders
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04070 | Phosphatidylinositol signaling system |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3CD
D11323 Umbralisib tosylate (USAN)
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D11323
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D11323
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 53
1 C8x C 12.6046 -15.1955
2 N5x N 12.6046 -16.5960
3 C8y C 13.7950 -17.2963
4 C8y C 15.0555 -16.5960
5 C8y C 15.0555 -15.1955
6 N5x N 13.7950 -14.4953
7 C8y C 16.3859 -17.0162
8 N5x N 17.1562 -15.8958
9 N4y N 16.3859 -14.7754
10 C8y C 16.8061 -18.3467
11 C8x C 15.8958 -19.3970
12 C8x C 16.3159 -20.7275
13 C8y C 17.6464 -21.0076
14 C8y C 18.6268 -19.9572
15 C8x C 18.1366 -18.6268
16 O2a O 18.1366 -22.3381
17 C1c C 19.4671 -22.6182
18 C1a C 20.3774 -21.5678
19 C1a C 19.8872 -23.9487
20 X F 20.0273 -20.3074
21 C1c C 16.8061 -13.4449
22 C8y C 18.2066 -13.1648
23 C1a C 15.8958 -12.3945
24 O2x O 19.1169 -14.2152
25 C8y C 20.5174 -13.9351
26 C8y C 20.9376 -12.6046
27 C8y C 19.9572 -11.5542
28 C8y C 18.6268 -11.8343
29 N1a N 13.7950 -18.6968
30 C8y C 17.7164 -10.7839
31 C8x C 18.1366 -9.4534
32 C8x C 17.2263 -8.4031
33 C8x C 15.8257 -8.6832
34 C8y C 15.4056 -10.0136
35 C8x C 16.3159 -11.0640
36 X F 14.0751 -10.3638
37 O5x O 20.3774 -10.2237
38 C8x C 21.4278 -14.9854
39 C8x C 22.8283 -14.7053
40 C8y C 23.2484 -13.3749
41 C8x C 22.3381 -12.3245
42 X F 24.6489 -13.0247
43 C8x C 24.9900 -20.4400
44 C8x C 24.9900 -21.8400
45 C8y C 26.2024 -22.5400
46 C8x C 27.4149 -21.8400
47 C8x C 27.4149 -20.4400
48 C8y C 26.2024 -19.7400
49 C1a C 26.2024 -23.9398
50 S4a S 26.2024 -18.3402
51 O1d O 26.2024 -16.9402
52 O1d O 24.8024 -18.3402
53 O1d O 27.6024 -18.3402
BOND 58
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 5 9 1
11 7 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 13 16 1
19 16 17 1
20 17 18 1
21 17 19 1
22 14 20 1
23 21 9 1 #Up
24 21 22 1
25 21 23 1
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 22 28 2
32 3 29 1
33 28 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 30 35 1
40 34 36 1
41 27 37 2
42 25 38 2
43 38 39 1
44 39 40 2
45 40 41 1
46 26 41 2
47 40 42 1
48 43 44 2
49 44 45 1
50 45 46 2
51 46 47 1
52 47 48 2
53 43 48 1
54 45 49 1
55 48 50 1
56 50 51 1
57 50 52 2
58 50 53 2
|
|---|
