| Entry |
|
|---|
| Name |
Zongertinib (USAN/INN) |
|---|
| Formula |
C29H29N9O2
|
|---|
| Exact mass |
535.2444
|
|---|
| Mol weight |
535.5997
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
D12879 Zongertinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
ERBB2 (HER2, CD340)
D12879 Zongertinib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 40
1 C8y C 15.6800 -13.1600
2 C8y C 15.6800 -14.5600
3 C8y C 14.4900 -15.2600
4 N5x N 13.2300 -14.5600
5 C8x C 13.2300 -13.1600
6 N5x N 14.4900 -12.4600
7 C8x C 16.8700 -12.4600
8 N5x N 18.1300 -13.1600
9 C8y C 18.1300 -14.5600
10 N5x N 16.8700 -15.2600
11 N1y N 19.3200 -15.2600
12 C1x C 20.5100 -14.5600
13 C1x C 21.7700 -15.2600
14 C1y C 21.7700 -16.6600
15 C1x C 20.5800 -17.3600
16 C1x C 19.3200 -16.6600
17 N1b N 22.9600 -17.3600
18 C5a C 24.1500 -16.6600
19 C2b C 25.3400 -17.3600
20 O5a O 24.1500 -15.2600
21 C2a C 26.5300 -16.6600
22 N1b N 14.4900 -16.6600
23 C8y C 15.7024 -17.3600
24 C8x C 15.7024 -18.7598
25 C8y C 16.9149 -19.4598
26 C8y C 18.1273 -18.7598
27 C8x C 18.1273 -17.3600
28 C8x C 16.9149 -16.6600
29 O2a O 19.3418 -19.4610
30 C1a C 16.9149 -20.8598
31 C8y C 19.3419 -20.8598
32 C8x C 18.1131 -21.5695
33 C8x C 18.1133 -22.9695
34 C8y C 19.3258 -23.6693
35 C8y C 20.5546 -22.9597
36 C8x C 20.5544 -21.5597
37 N4y N 19.6211 -25.0573
38 C8x C 21.0323 -25.2054
39 N5x N 21.6093 -23.9090
40 C1a C 18.6738 -26.1099
BOND 45
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 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 11 16 1
19 14 17 1
20 17 18 1
21 18 19 1
22 18 20 2
23 19 21 2
24 3 22 1
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 23 28 1
32 26 29 1
33 25 30 1
34 29 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 31 36 1
41 34 37 1
42 37 38 1
43 38 39 2
44 35 39 1
45 37 40 1
|
|---|
