| Entry |
|
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| Name |
Pasireotide (USAN) |
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| Formula |
C58H66N10O9
|
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| Exact mass |
1046.5014
|
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| Mol weight |
1047.20
|
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| Structure |
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| Simcomp |
|
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| Class |
Hormonal agent
DG01588 Somatostatin receptor agonist
|
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| Remark |
| Product (DG00503): | D10497<US> D10566<JP/US> |
|
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| Efficacy |
Antisecretory, Somatostatin receptor agonist |
|---|
| Comment |
Inhibition of endocrine and exocrine secreation and proliferateion
|
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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 |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
H01C HYPOTHALAMIC HORMONES
H01CB Somatostatin and analogues
H01CB05 Pasireotide
D10147 Pasireotide (USAN)
Drug groups [BR:br08330]
Hormonal agent
DG01588 Somatostatin receptor agonist
DG00503 Pasireotide
D10147 Pasireotide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Somatostatin
SSTR1
D10147 Pasireotide (USAN)
SSTR2
D10147 Pasireotide (USAN)
SSTR3
D10147 Pasireotide (USAN)
SSTR5
D10147 Pasireotide (USAN)
Drug groups [BR:br08330]
Hormonal agent
DG01588 Somatostatin receptor agonist
DG00503 Pasireotide
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| Other DBs |
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| KCF data |
ATOM 77
1 C1y C 34.6500 -32.1300
2 C1b C 35.8400 -32.8300
3 N1x N 33.4600 -32.8300
4 C5x C 34.6500 -30.7300
5 C1b C 37.0300 -32.1300
6 C1b C 38.2200 -32.8300
7 C1b C 39.4100 -32.1300
8 N1a N 40.6000 -32.8300
9 N1x N 35.8400 -30.0300
10 O5x O 33.4600 -30.0300
11 C5x C 32.2700 -32.1300
12 C1y C 31.0800 -32.8300
13 O5x O 32.2700 -30.7300
14 N1x N 29.8900 -32.1300
15 C1b C 31.0800 -34.2300
16 C8y C 32.2700 -34.9300
17 C8y C 32.6900 -36.2600
18 C8y C 34.0900 -36.2600
19 N4x N 34.5100 -34.9300
20 C8x C 33.3900 -34.0900
21 C8x C 31.9900 -37.4500
22 C8x C 32.6900 -38.7100
23 C8x C 34.0900 -38.7100
24 C8x C 34.7900 -37.4500
25 C1y C 35.8400 -28.6300
26 C1b C 37.0300 -27.9300
27 C5x C 34.6500 -27.9300
28 O5x O 33.4600 -28.6300
29 N1x N 34.6500 -26.5300
30 C8y C 38.2200 -28.6300
31 C8x C 38.2200 -30.0300
32 C8x C 39.4800 -30.7300
33 C8y C 40.6700 -30.0300
34 C8x C 40.6700 -28.6300
35 C8x C 39.4800 -27.9300
36 O2a O 41.8600 -30.7300
37 C1b C 43.0500 -30.0300
38 C8y C 44.2400 -30.7300
39 C8x C 44.2400 -32.1300
40 C8x C 45.5000 -32.8300
41 C8x C 46.6900 -32.1300
42 C8x C 46.6900 -30.7300
43 C8x C 45.5000 -30.0300
44 C1y C 33.4600 -25.8300
45 C5x C 32.2700 -26.5300
46 C1b C 33.4600 -24.4300
47 C8y C 34.6500 -23.7300
48 C8x C 35.8400 -24.4300
49 C8x C 37.1000 -23.7300
50 C8x C 37.1000 -22.3300
51 C8x C 35.9100 -21.6300
52 C8x C 34.6500 -22.3300
53 N1y N 31.0800 -25.8300
54 O5x O 32.2700 -27.9300
55 C5x C 29.8900 -30.7300
56 O5x O 31.0800 -30.0300
57 C1y C 28.7000 -30.0300
58 C8y C 27.5100 -30.7300
59 N1x N 28.7000 -28.6300
60 C8x C 26.3200 -30.0300
61 C8x C 25.0600 -30.7300
62 C8x C 25.0600 -32.1300
63 C8x C 26.2500 -32.8300
64 C8x C 27.5100 -32.1300
65 C5x C 29.8900 -27.9300
66 O5x O 31.0800 -28.6300
67 C1y C 29.8900 -26.5300
68 C1x C 30.9400 -24.5700
69 C1x C 28.9001 -25.5401
70 C1y C 29.5424 -24.2578
71 O7a O 28.9537 -23.0187
72 C7a C 27.5852 -23.0490
73 O6a O 26.8486 -21.8362
74 N1b N 26.9191 -24.2642
75 C1b C 25.5500 -24.2950
76 C1b C 24.8796 -25.5191
77 N1a N 23.4500 -25.5506
BOND 84
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 4 9 1
9 4 10 2
10 3 11 1
11 11 12 1
12 11 13 2
13 12 14 1
14 12 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 16 20 2
21 17 21 2
22 21 22 1
23 22 23 2
24 23 24 1
25 18 24 2
26 9 25 1
27 25 26 1
28 25 27 1
29 27 28 2
30 27 29 1
31 26 30 1
32 30 31 2
33 31 32 1
34 32 33 2
35 33 34 1
36 34 35 2
37 30 35 1
38 33 36 1
39 36 37 1
40 37 38 1
41 38 39 2
42 39 40 1
43 40 41 2
44 41 42 1
45 42 43 2
46 38 43 1
47 29 44 1
48 44 45 1
49 44 46 1
50 46 47 1
51 47 48 2
52 48 49 1
53 49 50 2
54 50 51 1
55 51 52 2
56 47 52 1
57 45 53 1
58 45 54 2
59 14 55 1
60 55 56 2
61 55 57 1
62 57 58 1
63 57 59 1
64 58 60 2
65 60 61 1
66 61 62 2
67 62 63 1
68 63 64 2
69 58 64 1
70 59 65 1
71 65 66 2
72 65 67 1
73 53 67 1
74 53 68 1
75 67 69 1
76 69 70 1
77 68 70 1
78 70 71 1 #Up
79 71 72 1
80 72 73 2
81 72 74 1
82 74 75 1
83 75 76 1
84 76 77 1
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