| Entry |
|
|---|
| Name |
Balinatunfib (USAN/INN) |
|---|
| Formula |
C27H24F2N6O2
|
|---|
| Exact mass |
502.1929
|
|---|
| Mol weight |
502.51
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory |
|---|
| Comment |
Treatment of inflammatory and autoimmune diseases
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
| hsa04920 | Adipocytokine signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Signaling molecules and receptors
Cytokine receptors
Tumor necrosis factor receptors
TNFRSF1 (CD120)
D13339 Balinatunfib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 C8y C 10.0800 -14.6300
2 N5x N 10.0800 -13.2300
3 C8x C 11.2700 -12.5300
4 C8y C 12.5300 -13.2300
5 C8x C 12.5300 -14.6300
6 N5x N 11.2700 -15.3300
7 C1z C 8.8900 -15.3300
8 N1a N 7.7000 -14.6300
9 C1x C 9.8700 -16.3100
10 C1x C 8.8900 -17.3600
11 C1x C 7.8400 -16.3100
12 C8y C 13.7200 -12.5300
13 C8x C 13.7200 -11.1300
14 C8x C 14.9100 -10.4300
15 C8y C 16.1700 -11.1300
16 C8y C 16.1700 -12.5300
17 C8x C 14.9800 -13.2300
18 N5x N 17.5000 -10.6400
19 C8y C 18.2700 -11.7600
20 N4y N 17.5000 -12.9500
21 C1y C 19.6000 -12.1800
22 C1x C 19.6000 -13.5800
23 C1y C 18.3400 -14.0700
24 N1y N 21.0000 -12.6000
25 C5x C 21.3500 -13.9300
26 C8y C 20.6500 -15.1200
27 C8y C 19.2500 -15.1200
28 C8x C 21.3500 -16.3800
29 C8x C 20.6500 -17.5700
30 C8x C 19.2500 -17.5700
31 C8y C 18.5500 -16.3800
32 O2a O 17.1500 -16.3800
33 C1c C 16.4500 -17.5700
34 X F 15.0500 -17.5700
35 X F 17.1500 -18.7600
36 O5x O 22.7500 -13.9300
37 C1a C 21.9800 -11.5500
BOND 43
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 1
9 7 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 4 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 15 18 1
21 18 19 2
22 19 20 1
23 16 20 1
24 21 19 1 #Down
25 21 22 1
26 22 23 1
27 23 20 1 #Down
28 21 24 1
29 24 25 1
30 25 26 1
31 26 27 2
32 27 23 1
33 26 28 1
34 28 29 2
35 29 30 1
36 30 31 2
37 27 31 1
38 31 32 1
39 32 33 1
40 33 34 1
41 33 35 1
42 25 36 2
43 24 37 1
|
|---|
