| Entry |
|
|---|
| Name |
Amcasertib (USAN/INN) |
|---|
| Formula |
C31H33N5O2S
|
|---|
| Exact mass |
539.2355
|
|---|
| Mol weight |
539.69
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Cell death inducer |
|---|
| Target |
|
|---|
| Pathway |
| hsa04550 | Signaling pathways regulating pluripotency of stem cells |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Genetic information processing
Transcription factor
NANOG
D10903 Amcasertib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C8x C 33.6700 -11.2000
2 C8x C 32.4800 -11.9000
3 C8y C 32.4800 -13.3000
4 C8x C 33.6700 -14.0000
5 C8y C 34.8600 -13.3000
6 C8y C 34.8600 -11.9000
7 C2y C 36.2600 -13.7200
8 C5x C 37.0300 -12.6000
9 N1x N 36.2600 -11.4800
10 O5x O 38.4300 -12.6000
11 C2b C 36.2600 -15.1200
12 C8y C 37.4500 -15.8200
13 C8y C 37.4500 -17.2200
14 C8y C 38.7800 -17.6400
15 C8y C 39.5500 -16.5200
16 N4x N 38.7800 -15.4000
17 C1a C 36.2600 -18.0600
18 C1a C 41.0200 -16.5200
19 C5a C 38.7800 -19.1100
20 O5a O 37.5900 -19.8100
21 N1b N 40.0400 -19.8100
22 C1b C 41.2300 -19.1100
23 C1b C 42.4200 -19.8100
24 N1c N 43.6100 -19.1100
25 C1b C 44.8000 -19.8100
26 C1a C 45.9900 -19.1100
27 C1b C 43.6100 -17.6400
28 C1a C 44.8000 -17.0100
29 C8y C 31.1500 -13.7200
30 C8x C 25.2700 -11.6200
31 C8x C 25.2700 -13.0200
32 C8x C 26.4600 -13.7200
33 C8y C 27.7200 -13.0200
34 C8x C 27.7200 -11.6200
35 C8x C 26.4600 -10.9200
36 C8y C 28.9100 -13.7200
37 S2x S 29.3300 -15.0500
38 C8x C 30.7300 -15.0500
39 N5x N 30.0300 -12.8800
BOND 43
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 1
9 8 9 1
10 6 9 1
11 8 10 2
12 7 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 12 16 1
19 13 17 1
20 15 18 1
21 14 19 1
22 19 20 2
23 19 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 24 27 1
30 27 28 1
31 30 31 2
32 31 32 1
33 32 33 2
34 33 34 1
35 34 35 2
36 30 35 1
37 33 36 1
38 37 38 1
39 38 29 2
40 39 36 2
41 36 37 1
42 39 29 1
43 29 3 1
|
|---|
