| Entry |
|
|---|
| Name |
Mivavotinib citrate (USAN) |
|---|
| Formula |
C17H22FN6O. C6H5O7
|
|---|
| Exact mass |
534.1874
|
|---|
| Mol weight |
534.49
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Tyrosin kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
SYK family
SYK
D11790 Mivavotinib citrate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C8y C 17.4505 -15.3565
2 C8y C 17.4505 -16.7525
3 N5x N 18.6372 -17.4505
4 C8y C 19.8936 -16.7525
5 C8y C 19.8936 -15.3565
6 C8y C 18.6372 -14.6585
7 C5x C 20.8708 -14.4491
8 N1x N 20.3124 -13.1229
9 C1x C 18.9164 -13.2625
10 O5x O 22.3366 -14.7283
11 X F 16.2639 -14.6585
12 N1b N 16.2639 -17.4505
13 C1y C 15.0773 -16.7525
14 C1x C 15.0773 -15.3565
15 C1x C 13.8209 -14.6585
16 C1x C 12.6343 -15.3565
17 C1x C 12.6343 -16.7525
18 C1y C 13.8209 -17.4505
19 C8y C 21.0802 -17.4505
20 C8x C 21.0802 -18.8466
21 N5x N 22.4064 -19.2654
22 N4y N 23.2441 -18.1486
23 C8x C 22.4064 -17.0317
24 C1a C 24.6401 -18.1486
25 N1a N 13.8209 -18.8466 #+
26 C6a C 27.7900 -15.4700
27 C1b C 29.0024 -16.1700
28 O6a O 26.5076 -16.2400 #-
29 O6a O 27.7900 -14.0700
30 C1d C 30.1979 -15.4796
31 C1b C 31.3853 -16.1651
32 C6a C 31.3853 -17.5651
33 O6a O 30.1518 -18.2774
34 O6a O 32.5807 -18.2554 #-
35 O1a O 29.4979 -14.2672
36 C6a C 30.8979 -14.2672
37 O6a O 32.2699 -14.2674
38 O6a O 30.1968 -13.0525 #-
BOND 40
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 6 9 1
11 7 10 2
12 1 11 1
13 2 12 1
14 13 12 1 #Up
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 4 19 1
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 1
26 19 23 2
27 22 24 1
28 18 25 1 #Up
29 26 27 1
30 26 28 1
31 26 29 2
32 27 30 1
33 30 31 1
34 31 32 1
35 32 33 2
36 32 34 1
37 30 35 1
38 30 36 1
39 36 37 2
40 36 38 1
|
|---|
