| Entry |
|
|---|
| Name |
Octreotide (USAN/INN) |
|---|
| Formula |
C49H66N10O10S2
|
|---|
| Exact mass |
1018.4405
|
|---|
| Mol weight |
1019.24
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG01588 Somatostatin receptor agonist
|
|---|
| Remark |
| Product (DG00501): | D02250<JP> D06495<US> |
|
|---|
| Efficacy |
Antisecretory (hormone), Somatostatin receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| 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
H01CB02 Octreotide
D00442 Octreotide (USAN/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01588 Somatostatin receptor agonist
DG00501 Octreotide
D00442 Octreotide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Somatostatin
SSTR2
D00442 Octreotide (USAN/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01588 Somatostatin receptor agonist
DG00501 Octreotide
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 71
1 C8y C 28.5471 -22.7591
2 C8x C 27.8410 -23.9662
3 C8x C 28.5335 -25.1812
4 C8x C 29.9318 -25.1890
5 C8x C 30.6378 -23.9818
6 C8y C 29.9454 -22.7669
7 N4x N 30.3847 -21.4319
8 C8x C 29.2508 -20.6073
9 C8y C 28.1170 -21.4319
10 N1b N 20.8593 -14.4148
11 C1y C 22.0736 -15.1137
12 C1x C 23.2877 -14.4148
13 S3x S 24.5020 -15.1137
14 S3x S 25.7163 -14.4148
15 C1x C 26.9234 -15.1137
16 C1y C 28.1375 -14.4148
17 N1x N 29.3518 -15.1137
18 C5x C 22.0736 -16.5257
19 O5x O 20.8559 -17.2246
20 C5x C 30.5701 -14.4163
21 C1y C 31.7869 -15.1166
22 O5x O 30.5718 -13.0114
23 N1x N 31.7852 -16.5286
24 C1c C 33.0052 -14.4192
25 O1a O 34.2219 -15.1196
26 C1a C 33.0069 -13.0143
27 C5x C 30.5669 -17.2259
28 C1y C 30.5652 -18.6237
29 O5x O 29.3501 -16.5257
30 N1x N 29.3467 -19.3353
31 C5x C 28.1301 -18.6279
32 C1y C 26.9117 -19.3324
33 O5x O 28.1318 -17.2230
34 N1x N 25.7020 -18.6251
35 C5x C 24.4837 -19.3295
36 C1y C 23.2669 -18.6222
37 C1b C 22.0485 -19.3267
38 N1x N 23.2686 -17.2173
39 O5x O 24.4820 -20.7273
40 C8y C 22.0468 -20.7244
41 C5a C 28.1375 -13.0170
42 O5a O 29.3481 -12.3181
43 N1b N 26.9272 -12.3181
44 C1c C 26.9272 -10.9204
45 C1c C 25.7166 -10.2215
46 C1b C 28.1375 -10.2215
47 O1a O 29.3378 -10.9134
48 C1a C 24.5061 -10.9204
49 O1a O 25.7166 -8.8237
50 C5a C 19.6498 -15.1154
51 C1c C 18.4384 -14.4180
52 O5a O 19.6516 -16.5132
53 N1a N 18.4365 -13.0202
54 C1b C 17.2287 -15.1186
55 C8x C 20.8398 -21.4174
56 C8x C 20.8381 -22.8151
57 C8x C 22.0478 -23.5156
58 C8x C 23.2591 -22.8180
59 C8x C 23.2608 -21.4203
60 C1b C 26.9082 -20.7302
61 C1b C 31.7769 -19.3204
62 C1b C 32.9861 -18.6191
63 C1b C 34.1980 -19.3158
64 C1b C 35.4071 -18.6146
65 N1a N 36.6191 -19.3112
66 C8y C 16.0173 -14.4212
67 C8x C 16.0085 -13.0306
68 C8x C 14.7970 -12.3334
69 C8x C 13.5875 -13.0338
70 C8x C 13.5894 -14.4316
71 C8x C 14.8008 -15.1289
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
|
|---|