| Entry |
|
|---|
| Name |
Miransertib (USAN/INN) |
|---|
| Formula |
C27H24N6
|
|---|
| Exact mass |
432.2062
|
|---|
| Mol weight |
432.52
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, AKT serine/threonine kinase inhibitor |
|---|
| Comment |
Treatment of cancer and overgrowth diseases
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
AGC group
AKT (PKB)
D11409 Miransertib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 14.4200 -15.6100
2 C8y C 14.4200 -17.0100
3 N5x N 13.2300 -17.7100
4 C8y C 11.9700 -17.0100
5 C8x C 11.9700 -15.6100
6 C8x C 13.2300 -14.9100
7 N4y N 15.7500 -17.4300
8 C8y C 16.5900 -16.3100
9 N5x N 15.7500 -15.1900
10 C8y C 17.9900 -16.3100
11 C8y C 18.6900 -17.5000
12 N5x N 20.0900 -17.5000
13 C8x C 20.7900 -16.3100
14 C8x C 20.0900 -15.1200
15 C8x C 18.6900 -15.1200
16 C8y C 16.1700 -18.7600
17 C8x C 15.1900 -19.7400
18 C8x C 15.4700 -21.0700
19 C8y C 16.8000 -21.4900
20 C8x C 17.8500 -20.5100
21 C8x C 17.5700 -19.1800
22 C1z C 17.2200 -22.8200
23 C8y C 10.7800 -17.7100
24 C8x C 9.5200 -17.0100
25 C8x C 8.3300 -17.7100
26 C8x C 8.3300 -19.1100
27 C8x C 9.5900 -19.8100
28 C8x C 10.7800 -19.1100
29 N1a N 17.9900 -18.6900
30 C1x C 17.2200 -24.2200
31 C1x C 18.6200 -24.2200
32 C1x C 18.6200 -22.8200
33 N1a N 15.8200 -22.8200
BOND 38
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 2 7 1
8 7 8 1
9 8 9 2
10 1 9 1
11 8 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 7 16 1
19 16 17 2
20 17 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 16 21 1
25 19 22 1
26 4 23 1
27 23 24 2
28 24 25 1
29 25 26 2
30 26 27 1
31 27 28 2
32 23 28 1
33 11 29 1
34 22 30 1
35 30 31 1
36 31 32 1
37 22 32 1
38 22 33 1
|
|---|
