| Entry |
|
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| Name |
Xamoterol fumarate (USAN) |
|---|
| Formula |
(C16H25N3O5)2. C4H4O4
|
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| Exact mass |
794.3698
|
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| Mol weight |
794.85
|
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| Structure |
|
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| Class |
Cardiovascular agent
DG01703 Cardiotonic
|
|---|
| Remark |
|
|---|
| Efficacy |
Cardiotonic, beta1-Adrenergic receptor partial agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
C01CX Other cardiac stimulants
C01CX07 Xamoterol
D06329 Xamoterol fumarate (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG00231 Xamoterol
D06329 Xamoterol fumarate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB1
D06329 Xamoterol fumarate (USAN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG00231 Xamoterol
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 56
1 C1b C 15.7393 -8.7103
2 N1b N 16.9582 -8.0073
3 C5a C 18.1711 -8.6986
4 N1y N 19.3898 -8.0014
5 C1x C 20.6027 -8.6986
6 C1x C 19.3898 -6.5951
7 C1x C 21.8214 -8.0014
8 C1x C 20.6027 -5.8862
9 O2x O 21.8214 -6.5951
10 O5a O 18.1722 -10.0864
11 C1b C 14.4913 -7.9897
12 N1b N 13.3009 -8.6769
13 C1b C 12.1044 -7.9858
14 C1c C 10.9106 -8.6749
15 C1b C 9.7159 -7.9849
16 O1a O 10.9103 -10.0862
17 O2a O 8.5212 -8.6744
18 C8y C 7.3268 -7.9846
19 C8x C 7.3269 -6.5732
20 C8x C 6.1100 -5.8704
21 C8y C 4.8928 -6.5730
22 C8x C 4.8926 -7.9844
23 C8x C 6.1097 -8.6872
24 O1a O 3.6763 -5.8705
25 C6a C 25.6675 -6.9992
26 C2b C 26.8786 -7.7012
27 O6a O 24.4565 -7.7012
28 O6a O 25.6675 -5.6011
29 C2b C 28.0953 -6.9992
30 C6a C 29.3063 -7.7012
31 O6a O 30.5173 -6.9992
32 O6a O 29.3063 -9.0993
33 C1b C 15.7393 -8.7103
34 N1b N 16.9582 -8.0073
35 C5a C 18.1711 -8.6986
36 N1y N 19.3898 -8.0014
37 C1x C 20.6027 -8.6986
38 C1x C 21.8214 -8.0014
39 O2x O 21.8214 -6.5951
40 C1x C 20.6027 -5.8862
41 C1x C 19.3898 -6.5951
42 O5a O 18.1722 -10.0864
43 C1b C 14.4913 -7.9897
44 N1b N 13.3009 -8.6769
45 C1b C 12.1044 -7.9858
46 C1c C 10.9106 -8.6749
47 C1b C 9.7159 -7.9849
48 O2a O 8.5212 -8.6744
49 C8y C 7.3268 -7.9846
50 C8x C 7.3269 -6.5732
51 C8x C 6.1100 -5.8704
52 C8y C 4.8928 -6.5730
53 C8x C 4.8926 -7.9844
54 C8x C 6.1097 -8.6872
55 O1a O 3.6763 -5.8705
56 O1a O 10.9103 -10.0862
BOND 57
1 25 26 1
2 25 27 1
3 25 28 2
4 26 29 2
5 29 30 1
6 30 31 1
7 30 32 2
8 1 2 1
9 2 3 1
10 3 4 1
11 4 5 1
12 4 6 1
13 5 7 1
14 6 8 1
15 7 9 1
16 8 9 1
17 3 10 2
18 1 11 1
19 11 12 1
20 12 13 1
21 13 14 1
22 14 15 1
23 14 16 1
24 15 17 1
25 17 18 1
26 18 19 2
27 19 20 1
28 20 21 2
29 21 22 1
30 22 23 2
31 18 23 1
32 21 24 1
33 33 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 36 41 1
38 37 38 1
39 41 40 1
40 38 39 1
41 40 39 1
42 35 42 2
43 33 43 1
44 43 44 1
45 44 45 1
46 45 46 1
47 46 47 1
48 46 56 1
49 47 48 1
50 48 49 1
51 49 50 2
52 50 51 1
53 51 52 2
54 52 53 1
55 53 54 2
56 49 54 1
57 52 55 1
BRACKET 1 2.1000 -10.6400 2.1000 -4.7600
1 22.5400 -4.7600 22.5400 -10.6400
1 2
ORIGINAL 1 1 2 3 4 5 7 9 8 6 10 11 12 13 14 15 17
1 18 19 20 21 22 23 24 16
REPEAT 1 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48
1 49 50 51 52 53 54 55 56
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