| Entry |
|
|---|
| Name |
Dezapelisib (USAN/INN) |
|---|
| Formula |
C20H16FN7OS
|
|---|
| Exact mass |
421.1121
|
|---|
| Mol weight |
421.45
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Comment |
Treatment of hematologic malignancies
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
D10924 Dezapelisib
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3CD
D10924 Dezapelisib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 30
1 N5x N 18.8129 -19.6460
2 C8x C 18.8129 -21.0442
3 N5x N 20.0237 -21.7432
4 C8y C 21.2346 -21.0442
5 C8y C 21.2346 -19.6460
6 C8y C 20.0237 -18.9470
7 N5x N 22.5643 -21.4762
8 C8x C 23.3861 -20.3451
9 N4x N 22.5643 -19.2140
10 N1b N 20.0237 -17.5490
11 C1c C 18.7961 -16.8401
12 C1a C 17.5938 -17.5342
13 C8y C 18.7963 -15.4517
14 N5x N 20.0197 -14.7456
15 C8y C 20.0198 -13.3474
16 N4y N 18.8090 -12.6483
17 C8y C 17.5858 -13.3544
18 C8y C 17.5856 -14.7526
19 C8y C 16.3517 -15.4651
20 C8x C 15.1459 -14.7691
21 C8x C 13.9351 -15.4683
22 C8x C 13.9352 -16.8664
23 C8y C 15.1410 -17.5624
24 C8x C 16.3518 -16.8632
25 O5x O 16.3519 -12.6416
26 X F 15.1412 -18.9698
27 S2x S 21.0588 -12.4119
28 C8x C 20.4902 -11.1346
29 C8y C 19.0997 -11.2807
30 C1a C 18.1623 -10.2395
BOND 34
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 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 6 10 1
12 10 11 1
13 11 12 1 #Up
14 11 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 2
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 19 24 1
28 17 25 2
29 23 26 1
30 15 27 1
31 27 28 1
32 28 29 2
33 16 29 1
34 29 30 1
|
|---|