| Entry |
|
|---|
| Name |
Ilacirnon (USAN) |
|---|
| Formula |
C20H13ClF3N5O3S
|
|---|
| Exact mass |
495.0380
|
|---|
| Mol weight |
495.86
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-inflammatory, C-C chemokine receptor antagonist |
|---|
| Comment |
Treatment of renal diseases including focal segmental glomerulosclerosis and diabetic nephropathy
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Chemokine receptors
CCR2 (CD192)
D11997 Ilacirnon (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 13.7200 -14.7700
2 C8x C 13.7200 -16.1700
3 C8x C 15.0500 -16.8700
4 C8y C 16.2400 -16.1700
5 C8x C 16.2400 -14.7700
6 C8y C 15.0500 -14.0700
7 S4a S 17.5000 -16.9400
8 N1b N 18.6900 -16.2400
9 C8y C 19.8800 -16.8700
10 C8x C 19.8800 -18.2700
11 C8y C 21.0700 -18.9700
12 C8x C 22.2600 -18.2700
13 N5x N 22.2600 -16.8700
14 C8y C 21.0700 -16.1700
15 C5a C 21.0700 -14.7700
16 C8y C 22.3300 -14.0700
17 O5a O 19.8800 -14.1400
18 C8y C 23.5200 -14.7700
19 C8y C 24.7100 -14.0700
20 N5x N 24.7100 -12.6000
21 C8x C 23.5200 -11.9000
22 N5x N 22.3300 -12.6000
23 O3c O 18.6900 -17.5700
24 O3c O 16.2400 -17.6400
25 X Cl 12.5300 -14.0700
26 C1d C 15.0500 -12.6700
27 X F 16.4500 -12.6700
28 X F 13.6500 -12.6700
29 X F 15.0500 -11.2700
30 C1a C 21.0700 -20.3700
31 N4x N 25.7600 -14.9800
32 C8x C 25.2000 -16.2400
33 C8x C 23.8000 -16.1000
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
|
|---|
