| Entry |
|
|---|
| Name |
Bafetinib (USAN) |
|---|
| Formula |
C30H31F3N8O
|
|---|
| Exact mass |
576.2573
|
|---|
| Mol weight |
576.6154
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
|
|---|
| Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
|---|
| Comment |
Oncology, chronic myeloid leukemia
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07045 | Antineoplastics - protein kinase inhibitors |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
D10202 Bafetinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
SRC family
LYN
D10202 Bafetinib (USAN)
ABL family
BCR-ABL [HSA_VAR:25v1]
D10202 Bafetinib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 42
1 N1b N 14.7700 -14.0000
2 C5a C 15.9824 -14.7000
3 C8y C 13.5576 -14.7000
4 C8y C 17.1779 -14.0096
5 O5a O 15.9825 -16.0998
6 C8x C 12.3621 -14.0096
7 C8y C 11.1496 -14.7095
8 C8y C 11.1494 -16.1095
9 C8x C 12.3449 -16.7999
10 C8x C 13.5574 -16.1000
11 C1a C 9.9266 -16.8154
12 N1b N 9.9184 -13.9985
13 C8y C 8.7215 -14.6895
14 N5x N 7.5351 -14.0043
15 C8y C 6.3226 -14.7042
16 C8x C 6.3224 -16.1042
17 C8x C 7.5089 -16.7894
18 N5x N 8.7214 -16.0895
19 C8y C 5.0915 -13.9932
20 C8x C 5.0919 -12.6001
21 N5x N 3.8796 -11.8998
22 C8x C 2.6670 -12.5995
23 N5x N 2.6667 -13.9926
24 C8x C 3.8789 -14.6929
25 C8x C 18.3653 -14.6951
26 C8y C 19.5777 -13.9950
27 C8y C 19.5776 -12.5950
28 C8x C 18.3903 -11.9096
29 C8x C 17.1779 -12.6096
30 C1b C 20.8045 -11.8864
31 C1d C 20.8090 -14.7060
32 N1y N 22.0119 -12.5834
33 C1x C 22.4211 -13.9287
34 C1y C 23.8337 -13.9535
35 C1x C 24.2938 -12.6177
36 C1x C 23.1655 -11.7673
37 X F 22.0045 -15.3963
38 X F 20.1090 -15.9184
39 X F 21.5090 -13.4936
40 N1c N 24.6141 -15.0689
41 C1a C 26.0361 -15.0154
42 C1a C 24.0039 -16.2972
BOND 46
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 2
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 3 10 1
11 8 11 1
12 7 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 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 4 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 4 29 1
33 27 30 1
34 26 31 1
35 30 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 32 36 1
41 31 37 1
42 31 38 1
43 31 39 1
44 34 40 1 #Down
45 40 41 1
46 40 42 1
|
|---|
