| Entry |
|
|---|
| Name |
Inlexisertib (USAN/INN) |
|---|
| Formula |
C26H36F3N7O2
|
|---|
| Exact mass |
535.2883
|
|---|
| Mol weight |
535.60
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, ULK kinase (serine/threonine kinase) inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
ULK1
D13122 Inlexisertib (USAN/INN)
ULK2
D13122 Inlexisertib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C1x C 17.3600 -17.5000
2 N1y N 17.3600 -16.1000
3 C1x C 16.1700 -15.4000
4 C1x C 14.9100 -16.1000
5 N1y N 14.9100 -17.5000
6 C1x C 16.1700 -18.2000
7 C8y C 18.5500 -15.4000
8 C1a C 13.7200 -18.2000
9 C8x C 19.7400 -16.1000
10 C8y C 21.0000 -15.4000
11 C8y C 21.0000 -14.0000
12 C8x C 19.8100 -13.3000
13 C8x C 18.5500 -14.0000
14 N1b N 22.1900 -13.3000
15 C8y C 23.3800 -14.0000
16 N5x N 23.3800 -15.4000
17 C8x C 24.6400 -16.1000
18 C8y C 25.8300 -15.4000
19 C8y C 25.8300 -14.0000
20 N5x N 24.6400 -13.3000
21 N1b N 27.0200 -13.3000
22 C1b C 28.2100 -14.0000
23 C1b C 29.4000 -13.3000
24 C1b C 30.5900 -14.0000
25 N1y N 31.7800 -13.3000
26 C1d C 27.0200 -16.1000
27 C1x C 34.2300 -12.7400
28 C5x C 33.1100 -13.6500
29 C1x C 31.1500 -12.0400
30 C1x C 34.2300 -11.3400
31 C1x C 31.7800 -10.7800
32 O2x O 33.1100 -10.5000
33 X F 28.2100 -16.8000
34 X F 27.7200 -14.9100
35 X F 26.3200 -17.2900
36 C1b C 22.2066 -16.1100
37 C1a C 22.2066 -17.5100
38 O5x O 33.4053 -15.0185
BOND 41
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 5 8 1
9 7 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 7 13 1
15 11 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 19 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 18 26 1
29 25 29 1
30 27 30 1
31 29 31 1
32 28 25 1
33 30 32 1
34 27 28 1
35 31 32 1
36 26 33 1
37 26 34 1
38 26 35 1
39 10 36 1
40 36 37 1
41 28 38 2
|
|---|
