| Entry |
|
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| Name |
Apafant (JAN/USAN/INN)
|
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| Formula |
C22H24ClN5O2S
|
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| Exact mass |
457.1339
|
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| Mol weight |
457.9763
|
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| Structure |
     |
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| Activity |
Platelet activating factor antagonist
|
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| Target |
platelet-activating factor (PAF) receptor antagonist [HSA: 5724] [KO: K04279] |
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| Pathway |
hsa04020 Calcium signaling pathway
hsa04080 Neuroactive ligand-receptor interaction | |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Platelet activating factor
platelet-activating factor (PAF) receptor [HSA:5724] [KO:K04279]
Apafant
D01652 Apafant (JAN/USAN/INN)
 |
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| Other DBs |
CAS: 105219-56-5 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 31
1 C2y C 19.3834 -15.8294
2 C1y C 18.5413 -14.7198
3 C1y C 18.8765 -13.3630
4 N4y N 20.1375 -12.7849
5 N2x N 20.7892 -15.8546
6 C8y C 21.3911 -13.4072
7 C1x C 21.6776 -14.7759
8 C8y C 18.7489 -17.0791
9 C8x C 17.3473 -17.0791
10 C8x C 16.6473 -18.2916
11 C8x C 17.3473 -19.5040
12 C8x C 18.7489 -19.5040
13 C8y C 19.4489 -18.2916
14 X Cl 20.8598 -18.2917
15 N5x N 22.3704 -12.4073
16 N5x N 21.7220 -11.1670
17 C8y C 20.3420 -11.4004
18 S2x S 17.6897 -12.6249
19 C2y C 16.6210 -13.5256
20 C2x C 17.1473 -14.8202
21 C1a C 19.3611 -10.4394
22 C1b C 15.4085 -12.8256
23 C1b C 14.1961 -13.5256
24 C5a C 12.9875 -12.8277
25 N1y N 11.8071 -13.5092
26 O5a O 12.9872 -11.4104
27 C1x C 11.8071 -14.9092
28 C1x C 10.5947 -12.8092
29 C1x C 9.3822 -13.5092
30 O2x O 9.3822 -14.9092
31 C1x C 10.5947 -15.6092
BOND 35
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
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
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