| Entry |
|
|---|
| Name |
Histrelin (USAN/INN);
Vantas (TN) |
|---|
| Formula |
C66H86N18O12
|
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| Exact mass |
1322.6673
|
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| Mol weight |
1323.5024
|
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| Structure |
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| Simcomp |
|
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| Class |
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
|
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| Remark |
| Product (DG00733): | D02116<US> |
|
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| Efficacy |
Antineoplastic, Gonadotropin-releasing hormone receptor agonist |
|---|
| 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]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 ENDOCRINE THERAPY
L02A HORMONES AND RELATED AGENTS
L02AE Gonadotropin releasing hormone analogues
L02AE05 Histrelin
D02369 Histrelin (USAN/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00733 Histrelin
D02369 Histrelin
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D02369 Histrelin (USAN/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00733 Histrelin
|
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| Other DBs |
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| KCF data |
ATOM 96
1 C8y C 12.3200 -12.7400
2 C8y C 12.8100 -11.4100
3 C1b C 11.1300 -13.4400
4 C8x C 13.4400 -13.5800
5 C8y C 14.1400 -11.4100
6 C8x C 12.1100 -10.2200
7 C1c C 11.1300 -14.8400
8 N4x N 14.6300 -12.8100
9 C8x C 14.8400 -10.2900
10 C8x C 12.8100 -9.0300
11 N1b N 9.9400 -15.5400
12 C5a C 12.3200 -15.5400
13 C8x C 14.2100 -9.0300
14 C5a C 8.7500 -14.8400
15 N1b N 13.5800 -14.8400
16 O5a O 12.3200 -16.9400
17 C1c C 7.5600 -15.5400
18 O5a O 8.7500 -13.4400
19 C1c C 14.7700 -15.5400
20 C1b C 7.5600 -16.9400
21 N1b N 6.3000 -14.8400
22 C5a C 15.9600 -14.8400
23 C1b C 14.7700 -16.9400
24 C8y C 8.7500 -17.6400
25 C5a C 5.1100 -15.5400
26 N1b N 17.1500 -15.5400
27 O5a O 15.9600 -13.4400
28 O1a O 15.9600 -17.6400
29 C8x C 10.0100 -17.0800
30 N5x N 8.7500 -19.0400
31 C1y C 3.9200 -14.8400
32 O5a O 5.1100 -16.9400
33 C1c C 18.3400 -14.8400
34 N4x N 10.9200 -17.9900
35 C8x C 10.2900 -19.2500
36 C1x C 2.7300 -15.4000
37 N1x N 3.9200 -13.4400
38 C1b C 18.3400 -13.4400
39 C5a C 19.6000 -15.5400
40 C1x C 1.7500 -14.3500
41 C5x C 2.4500 -13.1600
42 C8y C 19.6000 -12.7400
43 N1b N 20.7900 -14.8400
44 O5a O 19.6000 -16.9400
45 O5x O 1.8900 -11.9000
46 C8x C 20.7900 -13.4400
47 C8x C 19.6000 -11.3400
48 C1c C 21.9800 -15.5400
49 C8x C 21.9800 -12.7400
50 C8x C 20.7900 -10.7100
51 C5a C 23.1700 -14.8400
52 C8y C 21.9800 -11.3400
53 N1b N 24.3600 -15.5400
54 O5a O 23.1700 -13.4400
55 O1a O 23.1700 -10.7100
56 C1c C 25.5500 -14.8400
57 C5a C 26.8100 -15.5400
58 C1b C 25.5500 -13.4400
59 N1b N 28.0000 -14.8400
60 O5a O 26.8100 -16.9400
61 C1c C 26.8100 -12.7400
62 C1c C 29.1900 -15.5400
63 C1a C 26.8100 -11.3400
64 C1a C 28.0000 -13.4400
65 C5a C 30.3800 -14.8400
66 C1b C 29.1900 -16.9400
67 N1y N 31.5700 -15.5400
68 O5a O 30.3800 -13.4400
69 C1b C 28.0000 -17.6400
70 C1y C 32.9700 -15.5400
71 C1x C 31.2200 -16.8700
72 C1b C 28.0000 -19.0400
73 C1x C 33.4600 -16.8700
74 C5a C 34.2300 -14.8400
75 C1x C 32.3400 -17.6400
76 N1b N 26.8100 -19.7400
77 N1b N 35.4200 -15.5400
78 O5a O 34.2300 -13.4400
79 C2c C 25.5500 -19.0400
80 N1a N 24.3600 -19.7400
81 N2a N 25.5500 -17.6400
82 C1b C 21.9800 -17.4300
83 C8y C 20.7900 -18.1300
84 C8x C 19.4600 -17.7100
85 N4y N 18.6900 -18.9000
86 C8x C 19.5300 -19.9500
87 N5x N 20.7900 -19.5300
88 C1b C 17.2900 -18.9000
89 C8y C 16.5900 -20.1600
90 C8x C 15.1900 -20.1600
91 C8x C 14.4900 -21.4200
92 C8x C 15.2600 -22.6100
93 C8x C 16.6600 -22.6100
94 C8x C 17.3600 -21.3500
95 C1b C 36.6353 -14.8449
96 C1a C 37.8237 -15.5377
BOND 103
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 2
10 7 11 1 #Up
11 7 12 1
12 9 13 2
13 11 14 1
14 12 15 1
15 12 16 2
16 17 14 1 #Down
17 14 18 2
18 15 19 1
19 17 20 1
20 17 21 1
21 19 22 1
22 19 23 1 #Down
23 20 24 1
24 21 25 1
25 22 26 1
26 22 27 2
27 23 28 1
28 24 29 2
29 24 30 1
30 31 25 1 #Down
31 25 32 2
32 26 33 1
33 29 34 1
34 30 35 2
35 31 36 1
36 31 37 1
37 33 38 1 #Up
38 33 39 1
39 36 40 1
40 37 41 1
41 38 42 1
42 39 43 1
43 39 44 2
44 41 45 2
45 42 46 2
46 42 47 1
47 43 48 1
48 46 49 1
49 47 50 2
50 48 51 1
51 49 52 2
52 51 53 1
53 51 54 2
54 52 55 1
55 53 56 1
56 56 57 1
57 56 58 1 #Up
58 57 59 1
59 57 60 2
60 58 61 1
61 59 62 1
62 61 63 1
63 61 64 1
64 62 65 1
65 62 66 1 #Down
66 65 67 1
67 65 68 2
68 66 69 1
69 67 70 1
70 67 71 1
71 69 72 1
72 70 73 1
73 70 74 1 #Down
74 71 75 1
75 72 76 1
76 74 77 1
77 74 78 2
78 76 79 1
79 79 80 1
80 79 81 2
81 5 8 1
82 10 13 1
83 34 35 1
84 40 41 1
85 50 52 1
86 73 75 1
87 48 82 1 #Up
88 82 83 1
89 83 84 2
90 84 85 1
91 85 86 1
92 86 87 2
93 83 87 1
94 85 88 1
95 88 89 1
96 89 90 2
97 90 91 1
98 91 92 2
99 92 93 1
100 93 94 2
101 89 94 1
102 77 95 1
103 95 96 1
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