| Entry |
|
|---|
| Name |
Apilimod mesylate (USAN) |
|---|
| Formula |
C23H26N6O2. (CH4SO3)2
|
|---|
| Exact mass |
610.1880
|
|---|
| Mol weight |
610.71
|
|---|
| Structure |
|
|---|
| Class |
Immunological agent
DG02019 Interleukin inhibitor
|
|---|
| Efficacy |
Anti-inflammatory, IL-12/IL-23 inhibitor |
|---|
| Comment |
Treatment of inflammatory diseases
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Immunological agent
DG02019 Interleukin inhibitor
D06556 Apilimod mesylate
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokines
Interleukins
IL12
D06556 Apilimod mesylate (USAN)
IL23A
D06556 Apilimod mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 41
1 C8x C 6.1600 -14.1400
2 C8x C 6.1600 -15.5400
3 C8x C 7.3724 -16.2400
4 C8x C 8.5849 -15.5400
5 C8y C 8.5849 -14.1400
6 N5x N 7.3724 -13.4400
7 C1b C 9.8160 -13.4290
8 C1b C 11.0212 -14.1247
9 O2a O 12.2035 -13.4419
10 C8y C 13.3975 -14.1312
11 N4x N 13.3976 -15.5397
12 C8y C 14.6101 -16.2396
13 C8x C 15.8225 -15.5395
14 C8y C 15.8223 -14.1309
15 N5x N 14.6098 -13.4311
16 N2b N 17.0290 -13.4341
17 N1y N 14.6103 -17.6399
18 C1x C 13.4127 -18.3316
19 C1x C 13.4130 -19.7316
20 O2x O 14.6256 -20.4313
21 C1x C 15.8231 -19.7396
22 C1x C 15.8229 -18.3396
23 N2b N 18.2297 -14.1273
24 C2b C 19.4143 -13.4433
25 C8y C 20.6070 -14.1320
26 C8x C 20.6071 -15.5397
27 C8x C 21.8196 -16.2397
28 C8x C 23.0320 -15.5396
29 C8y C 23.0319 -14.1319
30 C8x C 21.8194 -13.4319
31 C1a C 24.2393 -13.4347
32 O1d O 27.7423 -15.7669
33 S4a S 27.7423 -17.1670
34 C1a C 26.3423 -17.1670
35 O1d O 29.1423 -17.1670
36 O1d O 27.7423 -18.5669
37 O1d O 27.7423 -15.7669
38 S4a S 27.7423 -17.1670
39 C1a C 26.3423 -17.1670
40 O1d O 29.1423 -17.1670
41 O1d O 27.7423 -18.5669
BOND 42
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 9 10 1
11 10 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 1
16 10 15 2
17 14 16 2
18 12 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 17 22 1
25 16 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
34 29 31 1
35 32 33 2
36 33 34 1
37 33 35 1
38 33 36 2
39 37 38 2
40 38 39 1
41 38 40 1
42 38 41 2
BRACKET 1 24.6400 -19.1100 24.6400 -15.2600
1 30.4500 -15.2600 30.4500 -19.1100
1 2
ORIGINAL 1 32 33 34 35 36
REPEAT 1 37 38 39 40 41
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|---|
