| Entry |
|
|---|
| Name |
Sapanisertib (USAN/INN) |
|---|
| Formula |
C15H15N7O
|
|---|
| Exact mass |
309.1338
|
|---|
| Mol weight |
309.33
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Environmental information processing
mTOR signaling
CASTOR
D11183 Sapanisertib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 N5x N 11.8300 -21.9800
2 C8x C 12.5300 -23.2400
3 N5x N 13.9300 -23.2400
4 C8y C 14.6300 -21.9800
5 C8y C 13.9300 -20.7900
6 C8y C 12.5300 -20.7900
7 C8y C 14.3500 -19.4600
8 N5x N 13.2300 -18.6200
9 N4y N 12.0400 -19.4600
10 C1c C 10.8500 -18.7600
11 C1a C 9.6600 -19.4600
12 C1a C 10.8500 -17.3600
13 C8x C 15.5400 -17.3600
14 C8y C 15.5400 -18.7600
15 C8x C 16.7300 -19.4600
16 C8y C 17.9900 -18.7600
17 C8y C 17.9900 -17.3600
18 C8x C 16.7300 -16.6600
19 N5x N 19.3215 -19.1926
20 C8y C 20.1444 -18.0600
21 O2x O 19.3215 -16.9274
22 N1a N 21.5600 -18.0600
23 N1a N 16.0299 -21.9628
BOND 26
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 6 9 1
11 10 9 1
12 10 11 1
13 10 12 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 14 7 1
21 16 19 1
22 19 20 2
23 20 21 1
24 17 21 1
25 20 22 1
26 4 23 1
|
|---|
