Entry |
|
Name |
Defactinib (USAN/INN) |
Formula |
C20H21F3N8O3S
|
Exact mass |
510.1409
|
Mol weight |
510.4928
|
Structure |
|
Simcomp |
|
Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
|
Remark |
|
Efficacy |
Antineoplastic, Focal adhesion kinase inhibitor |
Target |
|
Pathway |
hsa04650 | Natural killer cell mediated cytotoxicity |
hsa04670 | Leukocyte transendothelial migration |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01827 Defactinib
D10618 Defactinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
FAK family
PTK2B
D10618 Defactinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01827 Defactinib
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 35
1 N1c N 10.6400 -14.9100
2 N5x N 9.5200 -16.8700
3 C8x C 9.5200 -18.2700
4 C8x C 10.7324 -18.9700
5 N5x N 11.9449 -18.2700
6 C8y C 11.9449 -16.8700
7 C8y C 10.7324 -16.1700
8 C1b C 13.1573 -16.1700
9 N1b N 14.3697 -16.8700
10 C8y C 15.5822 -16.1700
11 S4a S 9.4276 -14.2100
12 C1a C 11.8524 -14.2100
13 O3c O 10.1276 -12.9976
14 O3c O 8.7276 -15.4224
15 C1a C 8.2151 -13.5100
16 N5x N 16.8153 -16.8822
17 C8y C 18.0279 -16.1824
18 N5x N 18.0281 -14.7824
19 C8x C 16.7950 -14.0702
20 C8y C 15.5824 -14.7700
21 C1d C 14.3700 -14.0700
22 X F 15.0700 -12.8576
23 X F 13.6700 -15.2824
24 X F 13.1575 -13.3700
25 N1b N 19.2403 -16.8824
26 C8y C 20.4527 -16.1824
27 C8x C 21.6503 -16.8738
28 C8x C 22.8627 -16.1737
29 C8y C 22.8626 -14.7737
30 C8x C 21.6651 -14.0824
31 C8x C 20.4527 -14.7824
32 C5a C 24.0750 -14.0737
33 N1b N 25.2875 -14.7737
34 C1a C 26.4999 -14.0737
35 O5a O 24.0750 -12.6737
BOND 37
1 2 3 1
2 3 4 2
3 4 5 1
4 5 6 2
5 6 7 1
6 2 7 2
7 6 8 1
8 8 9 1
9 9 10 1
10 1 7 1
11 1 11 1
12 1 12 1
13 11 13 2
14 11 14 2
15 11 15 1
16 10 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 10 20 2
22 20 21 1
23 21 22 1
24 21 23 1
25 21 24 1
26 17 25 1
27 25 26 1
28 26 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 30 31 1
33 26 31 2
34 29 32 1
35 32 33 1
36 33 34 1
37 32 35 2
|