| Entry |
|
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| Name |
Abediterol napadisylate (USAN) |
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| Formula |
(C25H30F2N2O4)2. C10H8O6S2
|
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| Exact mass |
1208.4110
|
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| Mol weight |
1209.33
|
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| Structure |
|
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| Class |
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
|
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| Remark |
|
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| Efficacy |
Bronchodilator, beta2-Adrenergic receptor agonist |
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| Comment |
Phenethylamine derivative
Treatment of asthma and COPD
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
|
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| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01232 Abediterol
D10220 Abediterol napadisylate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB2
D10220 Abediterol napadisylate (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01456 Adrenergic receptor agonist
DG01455 beta-Adrenergic receptor agonist
DG01452 beta2-Adrenergic receptor agonist
DG01232 Abediterol
|
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| Other DBs |
|
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| KCF data |
ATOM 84
1 C8x C 26.6700 -18.9000
2 C8x C 26.6700 -20.3000
3 C8x C 25.4800 -21.0000
4 C8x C 24.2200 -20.3000
5 C8y C 24.2200 -18.9000
6 C8x C 25.4800 -18.2000
7 C1d C 23.0300 -18.2000
8 C1b C 21.7700 -18.9000
9 O2a O 20.5800 -18.2000
10 C1b C 19.3900 -18.9000
11 C1b C 18.2000 -18.2000
12 C1b C 17.0100 -18.9000
13 C1b C 15.8200 -18.2000
14 C1b C 14.6300 -18.9000
15 C1b C 13.4400 -18.2000
16 N1b N 12.2500 -18.9000
17 C1b C 11.0600 -18.2000
18 C1c C 9.8700 -18.9000
19 C8y C 8.6800 -18.2000
20 C8x C 7.4900 -18.9000
21 C8x C 6.1600 -18.2000
22 C8y C 6.1600 -16.8000
23 C8y C 7.4200 -16.1000
24 C8y C 8.6800 -16.8000
25 O1a O 4.9700 -16.1000
26 O1a O 9.8700 -20.3000
27 X F 24.0100 -17.2200
28 X F 22.0500 -17.2200
29 N4x N 7.4200 -14.7000
30 C8y C 8.5400 -13.9300
31 C8x C 9.8000 -14.6300
32 C8x C 9.8000 -16.0300
33 O5x O 8.5400 -12.5300
34 C8x C 29.6100 -15.3300
35 C8x C 29.6100 -16.7300
36 C8x C 30.8000 -17.4300
37 C8y C 32.0600 -16.7300
38 C8y C 32.0600 -15.3300
39 C8y C 30.8000 -14.6300
40 C8y C 33.2500 -17.4300
41 C8x C 34.4400 -16.7300
42 C8x C 34.4400 -15.3300
43 C8x C 33.2500 -14.6300
44 S4a S 30.8000 -13.2300
45 S4a S 33.2500 -18.8300
46 O1d O 31.8500 -18.8300
47 O1d O 34.6500 -18.8300
48 O1d O 33.2500 -20.2300
49 O1d O 29.4000 -13.2300
50 O1d O 32.2000 -13.2300
51 O1d O 30.8000 -11.8300
52 C8x C 26.6700 -18.9000
53 C8x C 26.6700 -20.3000
54 C8x C 25.4800 -21.0000
55 C8x C 24.2200 -20.3000
56 C8y C 24.2200 -18.9000
57 C8x C 25.4800 -18.2000
58 C1d C 23.0300 -18.2000
59 C1b C 21.7700 -18.9000
60 O2a O 20.5800 -18.2000
61 C1b C 19.3900 -18.9000
62 C1b C 18.2000 -18.2000
63 C1b C 17.0100 -18.9000
64 C1b C 15.8200 -18.2000
65 C1b C 14.6300 -18.9000
66 C1b C 13.4400 -18.2000
67 N1b N 12.2500 -18.9000
68 C1b C 11.0600 -18.2000
69 C1c C 9.8700 -18.9000
70 C8y C 8.6800 -18.2000
71 C8x C 7.4900 -18.9000
72 C8x C 6.1600 -18.2000
73 C8y C 6.1600 -16.8000
74 C8y C 7.4200 -16.1000
75 C8y C 8.6800 -16.8000
76 C8x C 9.8000 -16.0300
77 C8x C 9.8000 -14.6300
78 C8y C 8.5400 -13.9300
79 N4x N 7.4200 -14.7000
80 O5x O 8.5400 -12.5300
81 O1a O 4.9700 -16.1000
82 O1a O 9.8700 -20.3000
83 X F 24.0100 -17.2200
84 X F 22.0500 -17.2200
BOND 89
1 34 35 2
2 35 36 1
3 36 37 2
4 37 38 1
5 38 39 2
6 34 39 1
7 37 40 1
8 40 41 2
9 41 42 1
10 42 43 2
11 38 43 1
12 39 44 1
13 40 45 1
14 45 46 2
15 45 47 2
16 45 48 1
17 44 49 2
18 44 50 2
19 44 51 1
20 1 2 2
21 2 3 1
22 3 4 2
23 4 5 1
24 5 6 2
25 1 6 1
26 5 7 1
27 7 8 1
28 8 9 1
29 9 10 1
30 10 11 1
31 11 12 1
32 12 13 1
33 13 14 1
34 14 15 1
35 15 16 1
36 16 17 1
37 17 18 1
38 18 19 1
39 19 20 2
40 20 21 1
41 21 22 2
42 22 23 1
43 23 24 2
44 19 24 1
45 22 25 1
46 18 26 1 #Down
47 7 27 1
48 7 28 1
49 23 29 1
50 29 30 1
51 30 31 1
52 31 32 2
53 24 32 1
54 30 33 2
55 52 53 2
56 53 54 1
57 54 55 2
58 55 56 1
59 56 57 2
60 52 57 1
61 56 58 1
62 58 59 1
63 59 60 1
64 60 61 1
65 61 62 1
66 62 63 1
67 63 64 1
68 64 65 1
69 65 66 1
70 66 67 1
71 67 68 1
72 68 69 1
73 69 70 1
74 70 71 2
75 71 72 1
76 72 73 2
77 73 74 1
78 74 75 2
79 70 75 1
80 73 81 1
81 69 82 1 #Down
82 58 83 1
83 58 84 1
84 74 79 1
85 79 78 1
86 78 77 1
87 77 76 2
88 75 76 1
89 78 80 2
BRACKET 1 3.5000 -21.2100 3.5000 -11.2000
1 27.0900 -11.2000 27.0900 -21.2100
1 2
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
1 17 18 19 20 21 22 23 24 32 31 30 29 33 25 26 27
1 28
REPEAT 1 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67
1 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83
1 84
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