| Entry |
|
|---|
| Name |
Vodobatinib (USAN) |
|---|
| Formula |
C27H20ClN3O2
|
|---|
| Exact mass |
453.1244
|
|---|
| Mol weight |
453.9196
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Comment |
Treatment of chronic myeloid leukemia and neurodegenerative diseases
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
D11786 Vodobatinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
ABL family
BCR-ABL [HSA_VAR:25v1]
D11786 Vodobatinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 N1b N 21.2800 -17.8500
2 C5a C 22.4700 -18.5500
3 N1b N 20.0900 -18.5500
4 C5a C 18.8300 -17.8500
5 C8y C 17.6400 -18.5500
6 O5a O 18.8300 -16.4500
7 C8x C 16.4500 -17.9200
8 C8y C 15.2600 -18.6200
9 C8y C 15.2600 -20.0200
10 C8x C 16.4500 -20.6500
11 C8x C 17.6400 -19.9500
12 C1a C 14.0000 -20.7200
13 C3b C 14.0000 -17.9200
14 C3b C 12.8100 -17.2200
15 C8y C 11.6200 -16.5200
16 C8x C 10.4300 -17.2200
17 N5x N 9.2400 -16.5200
18 C8y C 9.2400 -15.1200
19 C8y C 10.4300 -14.4200
20 C8x C 11.6200 -15.1200
21 C8x C 7.9800 -14.4200
22 C8x C 7.9800 -13.0200
23 C8x C 9.2400 -12.3200
24 C8x C 10.4300 -13.0200
25 C8y C 23.6600 -17.8500
26 O5a O 22.4700 -19.9500
27 C8y C 23.6600 -16.4500
28 C8x C 24.9200 -15.7500
29 C8x C 26.1100 -16.4500
30 C8x C 26.1100 -17.8500
31 C8y C 24.9200 -18.5500
32 X Cl 24.9200 -19.9500
33 C1a C 22.4700 -15.7500
BOND 36
1 1 2 1
2 1 3 1
3 3 4 1
4 4 5 1
5 4 6 2
6 5 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 5 11 1
12 9 12 1
13 8 13 1
14 13 14 3
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 18 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 2 25 1
28 2 26 2
29 25 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 25 31 1
35 31 32 1
36 27 33 1
|
|---|
