Entry |
|
Name |
Galunisertib (USAN/INN) |
Formula |
C22H19N5O
|
Exact mass |
369.159
|
Mol weight |
369.4192
|
Structure |
|
Efficacy |
Antineoplastic |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor serine/threonine kinases (RSTK)
TGFBR1 family
TGFBR1
D10437 Galunisertib (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 28
1 C8x C 10.0100 -14.7000
2 C8y C 10.0100 -16.1000
3 C8x C 11.2224 -16.8000
4 C8y C 12.4349 -16.1000
5 C8y C 12.4349 -14.7000
6 C8x C 11.2224 -14.0000
7 C8y C 13.6473 -16.8000
8 C8x C 14.8597 -16.1000
9 C8x C 14.8597 -14.7000
10 N5x N 13.6473 -14.0000
11 C5a C 8.7976 -16.8000
12 N1a N 7.6021 -16.1096
13 O5a O 8.7975 -18.1998
14 C8y C 13.6473 -18.2000
15 C8y C 12.5164 -19.0216
16 N4y N 12.9484 -20.3510
17 N5x N 14.3462 -20.3510
18 C8y C 14.7782 -19.0216
19 C1x C 11.1186 -19.0216
20 C1x C 10.6866 -20.3511
21 C1x C 11.8175 -21.1727
22 C8y C 16.0968 -18.5933
23 N5x N 17.1522 -19.5435
24 C8y C 18.4837 -19.1107
25 C8x C 18.7747 -17.7413
26 C8x C 17.7192 -16.7912
27 C8x C 16.3878 -17.2239
28 C1a C 19.5218 -20.0453
BOND 32
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 2 11 1
13 11 12 1
14 11 13 2
15 7 14 1
16 14 15 2
17 15 16 1
18 16 17 1
19 17 18 2
20 14 18 1
21 15 19 1
22 19 20 1
23 20 21 1
24 16 21 1
25 18 22 1
26 22 23 2
27 23 24 1
28 24 25 2
29 25 26 1
30 26 27 2
31 22 27 1
32 24 28 1
|