| Entry |
|
|---|
| Name |
Apafant (JAN/USAN/INN) |
|---|
| Formula |
C22H22ClN5O2S
|
|---|
| Exact mass |
455.1183
|
|---|
| Mol weight |
455.96
|
|---|
| Structure |
|
|---|
| Efficacy |
Platelet activating factor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Platelet activating factor
PTAFR
D01652 Apafant (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C2y C 22.1401 -17.0412
2 C8y C 21.2968 -15.9301
3 C8y C 21.6325 -14.5714
4 N4y N 22.8952 -13.9925
5 N2x N 23.5478 -16.9964
6 C8y C 24.1505 -14.6157
7 C1x C 24.4374 -15.9862
8 C8y C 21.5047 -18.2926
9 C8x C 20.1012 -18.2926
10 C8x C 19.4002 -19.5068
11 C8x C 20.1012 -20.7208
12 C8x C 21.5047 -20.7208
13 C8y C 22.2057 -19.5068
14 X Cl 23.6185 -19.5069
15 N5x N 25.1312 -13.6144
16 N5x N 24.4819 -12.3724
17 C8y C 23.1000 -12.6061
18 S2x S 20.4440 -13.8323
19 C8y C 19.3739 -14.7342
20 C8x C 19.9009 -15.9606
21 C1a C 22.1177 -11.6438
22 C1b C 18.1597 -14.0333
23 C1b C 16.9456 -14.7342
24 C5a C 15.7354 -14.0354
25 N1y N 14.5533 -14.7178
26 O5a O 15.7351 -12.6161
27 C1x C 14.5533 -16.1197
28 C1x C 13.3393 -14.0168
29 C1x C 12.1251 -14.7178
30 O2x O 12.1251 -16.1197
31 C1x C 13.3393 -16.8207
BOND 35
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 2
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 13 14 1
16 6 15 2
17 15 16 1
18 16 17 2
19 4 17 1
20 3 18 1
21 18 19 1
22 19 20 2
23 2 20 1
24 17 21 1
25 19 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 24 26 2
30 25 27 1
31 25 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 27 31 1
|
|---|
