| Entry |
|
|---|
| Name |
Paltimatrectinib (USAN/INN) |
|---|
| Formula |
C20H15F5N6
|
|---|
| Exact mass |
434.1278
|
|---|
| Mol weight |
434.36
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Tropomyosin receptor kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
TRK family
NTRK
D12646 Paltimatrectinib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8x C 14.7700 -12.0400
2 C8y C 14.7700 -13.4400
3 N5x N 15.9600 -14.1400
4 C8y C 17.2200 -13.4400
5 N4y N 17.2200 -12.0400
6 C8x C 15.9600 -11.3400
7 C8y C 18.5500 -13.8600
8 C8x C 19.3200 -12.7400
9 N5x N 18.5500 -11.6200
10 N4y N 18.9700 -15.1900
11 C8x C 18.1300 -16.3100
12 C8y C 18.9700 -17.4300
13 C8x C 20.3000 -17.0100
14 N5x N 20.3000 -15.6100
15 C1d C 18.5500 -18.7600
16 X F 18.2000 -20.0900
17 X F 17.1500 -18.4100
18 X F 19.8800 -19.1100
19 N1y N 13.5800 -14.1400
20 C1y C 12.3200 -13.5800
21 C1x C 11.3400 -14.6300
22 C1x C 12.0400 -15.8200
23 C1x C 13.4400 -15.5400
24 C8y C 12.0407 -12.2081
25 C8x C 13.1028 -11.2687
26 C8y C 12.8238 -9.8968
27 C8x C 11.4962 -9.4524
28 C8x C 10.4341 -10.3919
29 C8y C 10.7131 -11.7638
30 X F 9.6646 -12.6912
31 X F 13.8778 -8.9646
BOND 35
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 5 9 1
11 7 10 1
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 10 14 1
17 12 15 1
18 15 16 1
19 15 17 1
20 15 18 1
21 2 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 19 23 1
27 20 24 1 #Down
28 24 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 24 29 1
34 29 30 1
35 26 31 1
|
|---|
