| Entry |
|
|---|
| Name |
Tigozertinib (USAN) |
|---|
| Formula |
C28H37FN6O3S
|
|---|
| Exact mass |
556.2632
|
|---|
| Mol weight |
556.70
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa01521 | EGFR tyrosine kinase inhibitor resistance |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
D12730 Tigozertinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR* [HSA_VAR:1956v2]
D12730 Tigozertinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C8x C 21.2100 -16.5900
2 C8x C 21.2100 -17.9900
3 C8y C 22.4700 -18.6900
4 N5x N 23.6600 -17.9900
5 C8y C 23.6600 -16.5900
6 N5x N 22.4700 -15.8900
7 N1y N 24.8500 -15.8900
8 C1x C 26.0400 -16.5900
9 C1y C 27.3000 -15.8900
10 C1y C 27.3000 -14.4900
11 C1x C 26.1100 -13.7900
12 C1x C 24.8500 -14.4900
13 O2a O 28.4900 -13.7900
14 C1a C 29.6800 -14.4900
15 X F 28.4900 -16.5900
16 N1b N 22.4700 -20.0900
17 C8y C 27.2300 -22.8200
18 C8x C 27.2300 -24.2200
19 C8x C 26.0400 -24.9200
20 C8y C 24.7800 -24.2200
21 C8y C 24.7800 -22.8200
22 C8y C 26.0400 -22.1200
23 C8x C 23.6600 -22.1200
24 C8y C 23.6600 -20.7900
25 N5x N 24.7800 -20.0900
26 C8x C 26.0400 -20.7900
27 C1c C 23.6600 -24.9200
28 C1a C 22.4700 -24.2200
29 C1a C 23.6600 -26.3200
30 N1y N 28.4200 -22.1200
31 C1x C 28.7700 -20.8600
32 C1y C 30.1700 -21.2100
33 C1y C 29.8200 -22.4700
34 C1a C 30.5200 -23.7300
35 C1b C 31.3600 -20.5100
36 S4a S 32.5500 -21.2100
37 C1a C 33.8100 -21.9100
38 O3c O 33.2500 -19.9500
39 O3c O 31.8500 -22.3300
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 10 13 1 #Up
15 13 14 1
16 9 15 1 #Up
17 3 16 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 17 22 1
24 21 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 22 26 1
29 24 16 1
30 20 27 1
31 27 28 1
32 27 29 1
33 17 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 30 33 1
38 33 34 1 #Up
39 32 35 1 #Down
40 35 36 1
41 36 37 1
42 36 38 2
43 36 39 2
|
|---|
