| Entry |
|
|---|
| Name |
Pictilisib (USAN/INN);
Pictrelisib |
|---|
| Formula |
C23H27N7O3S2
|
|---|
| Exact mass |
513.1617
|
|---|
| Mol weight |
513.64
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
D10189 Pictilisib
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3C
D10189 Pictilisib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C8x C 10.1500 -25.2000
2 C8x C 10.1500 -26.6000
3 C8y C 11.3624 -27.3000
4 C8y C 12.5749 -26.6000
5 C8y C 12.5749 -25.2000
6 C8x C 11.3624 -24.5000
7 C8y C 13.8060 -24.4890
8 N5x N 15.0112 -25.1847
9 C8y C 16.2235 -24.4846
10 C8y C 16.2235 -23.0846
11 C8y C 15.0183 -22.3889
12 N5x N 13.8059 -23.0890
13 C8x C 17.5551 -24.9171
14 C8y C 18.3779 -23.7845
15 S2x S 17.5549 -22.6519
16 N1y N 15.0185 -21.0004
17 C1x C 16.2546 -20.2865
18 C1x C 16.2544 -18.8865
19 O2x O 15.0419 -18.1867
20 C1x C 13.8058 -18.9005
21 C1x C 13.8060 -20.3005
22 C1b C 19.8099 -23.7840
23 N1y N 20.5026 -22.5833
24 C1x C 21.9097 -22.5828
25 C1x C 22.6093 -21.3701
26 N1y N 21.9088 -20.1579
27 C1x C 20.5017 -20.1585
28 C1x C 19.8022 -21.3712
29 S4a S 22.6077 -18.9463
30 C1a C 23.3077 -17.7338
31 O3c O 23.8202 -19.6463
32 O3c O 21.3953 -18.2463
33 N4x N 11.6535 -28.6694
34 N5x N 13.0459 -28.8158
35 C8x C 13.6153 -27.5368
BOND 40
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 5 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 2
16 14 15 1
17 10 15 1
18 11 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 16 21 1
25 14 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 28 1
33 26 29 1
34 29 30 1
35 29 31 2
36 29 32 2
37 3 33 1
38 33 34 1
39 34 35 2
40 4 35 1
|
|---|
