| Entry |
|
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| Name |
Octreotide hydrochloride (USAN) |
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| Formula |
C49H66N10O10S2. 2HCl
|
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| Exact mass |
1090.3938
|
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| Mol weight |
1092.1612
|
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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 (DG00501): | D02250<JP> D06495<US> |
|
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| Efficacy |
Antisecretory (hormone), Somatostatin receptor agonist |
|---|
| 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]
Hormonal agent
DG01588 Somatostatin receptor agonist
DG00501 Octreotide
D11204 Octreotide hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Somatostatin
SSTR2
D11204 Octreotide hydrochloride (USAN)
Drug groups [BR:br08330]
Hormonal agent
DG01588 Somatostatin receptor agonist
DG00501 Octreotide
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 73
1 C8y C 22.1216 -21.9115
2 C8x C 21.4215 -23.1016
3 C8x C 22.1216 -24.3617
4 C8x C 23.5217 -24.3617
5 C8x C 24.2217 -23.1716
6 C8y C 23.5217 -21.9115
7 N4x N 23.9417 -20.5814
8 C8x C 22.8216 -19.7414
9 C8y C 21.7015 -20.5814
10 N1b N 14.4210 -13.5810
11 C1y C 15.6111 -14.2810
12 C1x C 16.8712 -13.5810
13 S3x S 18.0613 -14.2810
14 S3x S 19.2514 -13.5810
15 C1x C 20.5114 -14.2810
16 C1y C 21.7015 -13.5810
17 N1x N 22.8916 -14.2810
18 C5x C 15.6111 -15.6811
19 O5x O 14.4210 -16.3811
20 C5x C 24.1517 -13.5810
21 C1y C 25.3418 -14.2810
22 O5x O 24.1517 -12.1809
23 N1x N 25.3418 -15.6811
24 C1c C 26.6019 -13.5810
25 O1a O 27.7920 -14.2810
26 C1a C 26.6019 -12.1809
27 C5x C 24.1517 -16.3811
28 C1y C 24.1517 -17.7812
29 O5x O 22.8916 -15.6811
30 N1x N 22.8916 -18.4813
31 C5x C 21.7015 -17.7812
32 C1y C 20.4414 -18.4813
33 O5x O 21.7015 -16.3811
34 N1x N 19.2514 -17.7812
35 C5x C 18.0613 -18.4813
36 C1y C 16.8012 -17.7812
37 C1b C 15.6111 -18.4813
38 N1x N 16.8012 -16.3811
39 O5x O 18.0613 -19.8814
40 C8y C 15.6111 -19.8814
41 C5a C 21.7015 -12.1809
42 O5a O 22.8916 -11.4808
43 N1b N 20.5114 -11.4808
44 C1c C 20.5114 -10.0807
45 C1c C 19.2514 -9.3807
46 C1b C 21.7015 -9.3807
47 O1a O 22.8916 -10.0807
48 C1a C 18.0613 -10.0807
49 O1a O 19.2514 -7.9806
50 C5a C 13.2309 -14.2810
51 C1c C 11.9708 -13.5810
52 O5a O 13.2309 -15.6811
53 N1a N 11.9708 -12.1809
54 C1b C 10.7808 -14.2810
55 C8x C 14.4210 -20.5814
56 C8x C 14.4210 -21.9815
57 C8x C 15.6111 -22.6816
58 C8x C 16.8012 -21.9815
59 C8x C 16.8012 -20.5814
60 C1b C 20.4414 -19.8814
61 C1b C 25.3418 -18.4813
62 C1b C 26.5319 -17.7812
63 C1b C 27.7920 -18.4813
64 C1b C 28.9820 -17.7812
65 N1a N 30.1721 -18.4813
66 C8y C 9.5907 -13.5810
67 C8x C 9.5907 -12.1809
68 C8x C 8.3306 -11.4808
69 C8x C 7.1405 -12.1809
70 C8x C 7.1405 -13.5810
71 C8x C 8.3306 -14.2810
72 X Cl 8.4700 -19.8800
73 X Cl 8.4700 -21.7000
BOND 75
1 36 38 1
2 12 13 1
3 35 39 2
4 21 24 1
5 37 40 1
6 6 1 2
7 16 41 1
8 41 42 2
9 41 43 1
10 43 44 1
11 6 7 1
12 44 45 1
13 7 8 1
14 44 46 1
15 8 9 2
16 46 47 1
17 9 1 1
18 45 48 1
19 1 2 1
20 45 49 1
21 2 3 2
22 10 50 1
23 3 4 1
24 50 51 1
25 4 5 2
26 50 52 2
27 5 6 1
28 51 53 1
29 16 17 1
30 51 54 1
31 24 25 1
32 24 26 1
33 11 18 1
34 23 27 1
35 13 14 1
36 40 55 2
37 55 56 1
38 56 57 2
39 57 58 1
40 58 59 2
41 59 40 1
42 27 28 1
43 32 60 1
44 60 9 1
45 18 19 2
46 28 61 1
47 27 29 2
48 61 62 1
49 18 38 1
50 62 63 1
51 28 30 1
52 63 64 1
53 11 12 1
54 64 65 1
55 30 31 1
56 54 66 1
57 17 20 1
58 31 32 1
59 14 15 1
60 31 33 2
61 20 21 1
62 66 67 2
63 67 68 1
64 68 69 2
65 69 70 1
66 70 71 2
67 71 66 1
68 32 34 1
69 10 11 1
70 34 35 1
71 20 22 2
72 35 36 1
73 15 16 1
74 36 37 1
75 21 23 1
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