| Entry |
|
|---|
| Name |
Ilacirnon sodium (USAN) |
|---|
| Formula |
C20H12ClF3N5O3S. Na
|
|---|
| Exact mass |
517.0199
|
|---|
| Mol weight |
517.84
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-inflammatory, C-C chemokine receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Chemokine receptors
CCR2 (CD192)
D11998 Ilacirnon sodium (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C8y C 13.2178 -15.1060
2 C8x C 13.2178 -16.5047
3 C8x C 14.5465 -17.2041
4 C8y C 15.7354 -16.5047
5 C8x C 15.7354 -15.1060
6 C8y C 14.5465 -14.4067
7 S4a S 16.9943 -17.2740
8 N1b N 18.1832 -16.5747 #-
9 C8y C 19.3721 -17.2041
10 C8x C 19.3721 -18.6028
11 C8y C 20.5610 -19.3021
12 C8x C 21.7499 -18.6028
13 N5x N 21.7499 -17.2041
14 C8y C 20.5610 -16.5047
15 C5a C 20.5610 -15.1060
16 C8y C 21.8198 -14.4067
17 O5a O 19.3721 -14.4766
18 C8y C 23.0087 -15.1060
19 C8y C 24.1976 -14.4067
20 N5x N 24.1976 -12.9380
21 C8x C 23.0087 -12.2387
22 N5x N 21.8198 -12.9380
23 O3c O 18.1832 -17.9034
24 O3c O 15.7354 -17.9734
25 X Cl 12.0289 -14.4067
26 C1d C 14.5465 -13.0080
27 X F 15.9453 -13.0080
28 X F 13.1478 -13.0080
29 X F 14.5465 -11.6093
30 C1a C 20.5610 -20.7009
31 N4x N 25.2467 -15.3158
32 C8x C 24.6872 -16.5747
33 C8x C 23.2885 -16.4348
34 Z Na 17.5000 -13.0900 #+
BOND 36
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 14 15 1
17 15 16 1
18 15 17 2
19 16 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 16 22 1
25 7 23 2
26 7 24 2
27 1 25 1
28 6 26 1
29 26 27 1
30 26 28 1
31 26 29 1
32 11 30 1
33 19 31 1
34 31 32 1
35 32 33 2
36 18 33 1
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