Entry |
|
Name |
Israpafant (JAN/INN) |
Formula |
C28H29ClN4S
|
Exact mass |
488.1801
|
Mol weight |
489.0747
|
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
D02590 Israpafant (JAN/INN)
|
Other DBs |
|
KCF data |
ATOM 34
1 C2y C 22.8596 -22.1597
2 C8y C 22.0086 -21.0252
3 C8y C 22.3632 -19.6778
4 N4y N 23.6396 -19.0396
5 N2x N 24.2778 -22.1597
6 C8y C 24.8451 -19.6778
7 C1y C 25.1287 -21.0961
8 C8y C 22.1596 -23.3722
9 C8y C 22.8596 -24.5846
10 X Cl 24.2778 -24.5846
11 C8x C 20.7596 -23.3722
12 C8x C 20.0596 -24.5846
13 C8x C 20.7596 -25.7970
14 C8x C 22.1596 -25.7970
15 C1a C 26.4840 -21.4257
16 N5x N 25.8246 -18.7286
17 N5x N 25.2244 -17.5037
18 C8y C 23.8740 -17.6959
19 S2x S 21.1914 -18.9243
20 C8y C 20.1126 -19.8059
21 C8x C 20.6177 -21.0343
22 C1a C 22.9048 -16.6959
23 C1b C 18.9001 -19.1059
24 C1b C 17.6877 -19.8059
25 C8y C 16.4938 -19.1165
26 C8x C 16.4938 -17.7102
27 C8x C 15.2814 -17.0102
28 C8y C 14.0690 -17.7102
29 C8x C 14.0690 -19.1165
30 C8x C 15.2814 -19.8165
31 C1b C 12.8572 -17.0106
32 C1c C 11.6622 -17.7007
33 C1a C 10.4746 -17.0151
34 C1a C 11.6622 -19.1097
BOND 38
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 1
11 8 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 9 14 2
16 7 15 1 #Up
17 6 16 2
18 16 17 1
19 17 18 2
20 4 18 1
21 3 19 1
22 19 20 1
23 20 21 2
24 2 21 1
25 18 22 1
26 20 23 1
27 23 24 1
28 24 25 1
29 25 26 2
30 26 27 1
31 27 28 2
32 28 29 1
33 29 30 2
34 25 30 1
35 28 31 1
36 31 32 1
37 32 33 1
38 32 34 1
|