Entry |
|
Name |
Rociletinib (USAN/INN) |
Formula |
C27H28F3N7O3
|
Exact mass |
555.2206
|
Mol weight |
555.5515
|
Structure |
|
Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
|
Remark |
|
Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
Target |
|
Pathway |
|
Interaction |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
L01EB05 Rociletinib
D10858 Rociletinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
D10858 Rociletinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR
D10858 Rociletinib (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 40
1 C8x C 21.7700 -13.7900
2 C8y C 21.7700 -12.3900
3 C8x C 20.5800 -11.6900
4 C8y C 19.3200 -12.3900
5 C8x C 19.3200 -13.7900
6 C8x C 20.5800 -14.4900
7 N1b N 22.9600 -11.6900
8 C5a C 24.1500 -12.3900
9 C2b C 25.3400 -11.6900
10 O5a O 24.1500 -13.7900
11 C2a C 26.5300 -12.3900
12 N1b N 18.1300 -11.6900
13 C8y C 16.9400 -12.3900
14 N5x N 15.7500 -11.6900
15 C8y C 14.4900 -12.3900
16 N5x N 14.4900 -13.7900
17 C8x C 15.6800 -14.4900
18 C8y C 16.9400 -13.7900
19 N1b N 13.3000 -11.6900
20 C8y C 12.1100 -12.3900
21 C8x C 10.9200 -11.6900
22 C8x C 9.6600 -12.3900
23 C8y C 9.6600 -13.7900
24 C8x C 10.8500 -14.4900
25 C8y C 12.1100 -13.7900
26 N1y N 8.4700 -14.4900
27 C1x C 7.2800 -13.7900
28 C1x C 6.0200 -14.4900
29 N1y N 6.0200 -15.8900
30 C1x C 7.2100 -16.5900
31 C1x C 8.4700 -15.8900
32 C5a C 4.8300 -16.5900
33 C1a C 3.6400 -15.8900
34 O5a O 4.8300 -17.9900
35 O2a O 13.3000 -14.4900
36 C1a C 13.3000 -15.8900
37 C1d C 18.1300 -14.4900
38 X F 18.1300 -15.8900
39 X F 19.3200 -15.1900
40 X F 16.9400 -15.1900
BOND 43
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 1
10 8 10 2
11 9 11 2
12 4 12 1
13 12 13 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 15 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 20 25 1
28 23 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 26 31 1
35 29 32 1
36 32 33 1
37 32 34 2
38 25 35 1
39 35 36 1
40 18 37 1
41 37 38 1
42 37 39 1
43 37 40 1
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