| Entry |
|
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| Name |
Triptorelin (USAN/INN) |
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| Formula |
C64H82N18O13
|
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| Exact mass |
1310.6309
|
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| Mol weight |
1311.4487
|
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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 (DG00732): | D06248<US> |
|
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| Efficacy |
Antineoplastic, Gonadotropin-releasing hormone receptor agonist |
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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]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 ENDOCRINE THERAPY
L02A HORMONES AND RELATED AGENTS
L02AE Gonadotropin releasing hormone analogues
L02AE04 Triptorelin
D06247 Triptorelin (USAN/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00732 Triptorelin
D06247 Triptorelin
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D06247 Triptorelin (USAN/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00732 Triptorelin
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| Other DBs |
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| KCF data |
ATOM 95
1 C1y C 4.2700 -15.2600
2 N1b N 24.4300 -16.0300
3 C5a C 23.2400 -15.4000
4 C1c C 22.0500 -16.0300
5 N1b N 20.8600 -15.4000
6 C5a C 19.6700 -16.0300
7 O5a O 19.6700 -17.3600
8 C1c C 18.5500 -15.4000
9 N1b N 17.3600 -16.0300
10 C5a C 16.2400 -15.4000
11 C1c C 14.9800 -16.0300
12 C1b C 14.9800 -17.6400
13 N1b N 13.8600 -15.4000
14 C5a C 12.6700 -16.0300
15 O5a O 12.6700 -17.3600
16 C1b C 22.0500 -18.2000
17 C8y C 20.8600 -18.9000
18 O5a O 23.2400 -14.0000
19 C1c C 25.6200 -15.4000
20 C5a C 26.7400 -16.0300
21 N1b N 27.9300 -15.4000
22 O5a O 26.7400 -17.3600
23 C1c C 29.1200 -16.0300
24 C5a C 30.3100 -15.4000
25 C1b C 29.1200 -17.3600
26 C1b C 27.9300 -18.0600
27 C1b C 27.9300 -19.3900
28 N1b N 26.8100 -20.0200
29 C2c C 25.6200 -19.3900
30 N2a N 25.6200 -17.9900
31 N1a N 24.4300 -20.0900
32 O5a O 30.3100 -14.0000
33 N1y N 31.4300 -16.1000
34 C1y C 32.8300 -16.1000
35 C1x C 31.0800 -17.3600
36 C1x C 32.2700 -18.0600
37 C1x C 33.3200 -17.2200
38 C1b C 18.5500 -13.8600
39 C8y C 19.6700 -13.2300
40 C8x C 20.7900 -13.8600
41 C8x C 22.0500 -13.2300
42 C8y C 22.0500 -11.8300
43 C8x C 20.8600 -11.1300
44 C8x C 19.6700 -11.8300
45 O1a O 23.2400 -11.1300
46 O5a O 16.2400 -14.0000
47 C1c C 11.4800 -15.4000
48 N1b N 10.2900 -16.0300
49 C5a C 9.1000 -15.4000
50 C1c C 7.9800 -16.0300
51 C1b C 7.9800 -17.8500
52 N1b N 6.7900 -15.4000
53 C5a C 5.5300 -16.0300
54 O5a O 5.5300 -17.3600
55 O5a O 9.1000 -14.0000
56 C8y C 9.1000 -18.5500
57 N4x N 9.1000 -19.8800
58 C8x C 10.3600 -20.3000
59 N5x N 11.2000 -19.2500
60 C8x C 10.3600 -18.1300
61 C1x C 2.9400 -15.6800
62 C1x C 2.1700 -14.5600
63 C5x C 2.9400 -13.5100
64 N1x N 4.2700 -13.8600
65 O5x O 2.4500 -12.2500
66 C1b C 11.4800 -14.0000
67 C8y C 12.6700 -13.3700
68 C8x C 13.7200 -14.0700
69 N4x N 14.7700 -13.3700
70 C8y C 14.3500 -12.1100
71 C8y C 13.0900 -12.1100
72 C8x C 15.0500 -10.8500
73 C8x C 14.3500 -9.6600
74 C8x C 13.0900 -9.6600
75 C8x C 12.3900 -10.8500
76 C8y C 19.0400 -20.2300
77 C8y C 20.4400 -20.2300
78 C8x C 19.7400 -18.0600
79 N4x N 18.6200 -18.9000
80 C8x C 18.3400 -21.4200
81 C8x C 19.0400 -22.6800
82 C8x C 20.4400 -22.6800
83 C8x C 21.1400 -21.4200
84 C1b C 25.6200 -14.0000
85 C1c C 26.8100 -13.2300
86 C1a C 28.0700 -13.9300
87 C1a C 26.8100 -11.8300
88 C5a C 34.0200 -15.4000
89 N1b N 35.2100 -16.1000
90 O5a O 34.0200 -14.0000
91 C1b C 36.4000 -15.4000
92 C5a C 37.5900 -16.1000
93 N1a N 38.7800 -15.4000
94 O5a O 37.5900 -17.5000
95 O1a O 13.7647 -18.3351
BOND 102
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 7 2
6 6 8 1
7 8 9 1
8 9 10 1
9 10 11 1
10 11 13 1
11 13 14 1
12 14 15 2
13 4 16 1 #Up
14 16 17 1
15 3 18 2
16 19 20 1
17 2 19 1
18 20 21 1
19 20 22 2
20 21 23 1
21 23 24 1
22 23 25 1 #Down
23 25 26 1
24 26 27 1
25 27 28 1
26 28 29 1
27 29 30 2
28 29 31 1
29 24 32 2
30 24 33 1
31 33 34 1
32 33 35 1
33 35 36 1
34 36 37 1
35 34 37 1
36 8 38 1 #Up
37 38 39 1
38 39 40 2
39 40 41 1
40 41 42 2
41 42 43 1
42 43 44 2
43 39 44 1
44 42 45 1
45 10 46 2
46 11 12 1 #Down
47 14 47 1
48 47 48 1
49 48 49 1
50 49 50 1
51 50 52 1
52 52 53 1
53 53 54 2
54 49 55 2
55 50 51 1 #Down
56 51 56 1
57 56 57 1
58 57 58 1
59 58 59 2
60 59 60 1
61 56 60 2
62 1 53 1 #Down
63 1 61 1
64 61 62 1
65 62 63 1
66 63 64 1
67 1 64 1
68 63 65 2
69 47 66 1 #Up
70 66 67 1
71 67 68 2
72 68 69 1
73 69 70 1
74 70 71 1
75 67 71 1
76 70 72 2
77 72 73 1
78 73 74 2
79 74 75 1
80 71 75 2
81 76 77 1
82 77 17 1
83 78 79 1
84 76 79 1
85 76 80 2
86 80 81 1
87 81 82 2
88 82 83 1
89 77 83 2
90 17 78 2
91 19 84 1 #Up
92 84 85 1
93 85 86 1
94 85 87 1
95 88 89 1
96 34 88 1 #Down
97 88 90 2
98 89 91 1
99 91 92 1
100 92 93 1
101 92 94 2
102 12 95 1
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