Entry
Name
Degarelix acetate (JAN); Firmagon (TN)
Product
Formula
C82H103ClN18O16. (C2H4O2)x
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Therapeutic category: 2499
Product (DG00736): D09400<JP /US>
Efficacy
Antineoplastic, Gonadotropin-releasing hormone receptor antagonist
Disease
Target
Pathway
hsa04080 Neuroactive ligand-receptor interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 ENDOCRINE THERAPY
L02B HORMONE ANTAGONISTS AND RELATED AGENTS
L02BX Other hormone antagonists and related agents
L02BX02 Degarelix
D09400 Degarelix acetate (JAN) <JP/US>
USP drug classification [BR:br08302 ]
Antineoplastics
Antineoplastics, Other
Antineoplastics, Miscellaneous
Degarelix
D09400 Degarelix acetate (JAN)
Therapeutic category of drugs in Japan [BR:br08301 ]
2 Agents affecting individual organs
24 Hormones
249 Miscellaneous
2499 Others
D09400 Degarelix acetate (JAN)
Target-based classification of drugs [BR:br08310 ]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D09400 Degarelix acetate (JAN) <JP/US>
New drug approvals in the USA [br08319.html ]
New molecular entities and new therapeutic biological products
D09400
New drug approvals in Japan [br08318.html ]
Drugs with new active ingredients
D09400
New drug approvals in the USA, Europe and Japan [br08328.html ]
Approval dates by FDA, EMA and PMDA
D09400
BRITE hierarchy
Other DBs
KCF data
Show ATOM 121
1 C1c C 9.0300 -19.1800
2 C5a C 10.2900 -18.4800
3 N1b N 11.4800 -19.1800
4 C1c C 12.6700 -18.4800
5 C5a C 13.9300 -19.1800
6 N1b N 15.1200 -18.4800
7 C1c C 16.3100 -19.1800
8 C5a C 17.5700 -18.4800
9 N1b N 18.7600 -19.1800
10 C1c C 19.9500 -18.4800
11 C5a C 21.2100 -19.1800
12 N1b N 22.4000 -18.4800
13 C1c C 23.5900 -19.1800
14 C5a C 24.8500 -18.4800
15 N1b N 26.0400 -19.1800
16 C1c C 27.2300 -18.4800
17 C5a C 28.4900 -19.1800
18 N1b N 29.6800 -18.4800
19 C1c C 30.8700 -19.1800
20 C5a C 32.1300 -18.4800
21 N1b N 33.3200 -19.1800
22 C1c C 34.5100 -18.4800
23 C5a C 35.7000 -19.1800
24 N1b N 7.8400 -18.4800
25 O5a O 35.7000 -20.5800
26 O5a O 32.1300 -17.0800
27 O5a O 28.4900 -20.5800
28 O5a O 24.8500 -17.0800
29 O5a O 21.2100 -20.5800
30 O5a O 17.5700 -17.0800
31 O5a O 13.9300 -20.5800
32 C1b C 34.5100 -17.0800
33 C1b C 35.7000 -16.3800
34 C1b C 35.7000 -14.9800
35 C1b C 36.9600 -14.2800
36 N1b N 36.9600 -12.8800
37 O5a O 10.2900 -17.0800
38 C5a C 6.6500 -19.1800
39 C1a C 5.4600 -18.4800
40 O5a O 6.6500 -20.5800
41 C1b C 30.8700 -20.5800
42 C1b C 27.2300 -17.0800
43 C1b C 23.5900 -20.5800
44 C1b C 12.6700 -17.0800
45 C1b C 19.9500 -17.0800
46 C1b C 16.3100 -20.5800
47 C1c C 32.1300 -21.2800
48 C1a C 33.3200 -20.5800
49 C1a C 32.1300 -22.6800
50 C8y C 28.4900 -16.3800
51 C8x C 29.6800 -17.0800
52 C8x C 30.8700 -16.3800
53 C8y C 30.8700 -14.9800
54 C8x C 29.6800 -14.2800
55 C8x C 28.4900 -14.9800
56 N1b N 32.1300 -14.2800
57 C5a C 33.3200 -14.9800
58 N1a N 34.5100 -14.2800
59 O5a O 33.3200 -16.3800
60 C8y C 24.8500 -21.2800
61 C8x C 24.8500 -22.6800
62 C8x C 26.0400 -23.3800
63 C8y C 27.2300 -22.6800
64 C8x C 27.2300 -21.2800
65 C8x C 26.0400 -20.5800
66 N1b N 28.4900 -23.4500
67 C5a C 28.4900 -24.8500
68 O5a O 27.2300 -25.5500
69 C1y C 29.6800 -25.4800
70 C1x C 29.6800 -26.9500
71 C5x C 30.8700 -27.6500
72 N1x N 32.1300 -26.9500
73 C5x C 32.1300 -25.4800
74 N1x N 30.8700 -24.7800
75 O5x O 33.3200 -24.7800
76 O5x O 30.8700 -29.0500
77 O1a O 21.2100 -16.3800
78 C8y C 17.5700 -21.2800
79 C8x C 17.5700 -22.6800
80 C8x C 18.7600 -23.3800
81 C8x C 19.9500 -22.6800
82 N5x N 19.9500 -21.2800
83 C8x C 18.7600 -20.5800
84 C8y C 13.9300 -16.3800
85 C8x C 15.1200 -17.0800
86 C8x C 16.3100 -16.3800
87 C8y C 16.3100 -14.9800
88 C8x C 15.1200 -14.2800
89 C8x C 13.9300 -14.9800
90 X Cl 17.5700 -14.2800
91 C1b C 9.0300 -20.5800
92 C8y C 10.2900 -21.2800
93 C8x C 10.2900 -22.6800
94 C8y C 11.4800 -23.3800
95 C8y C 12.6700 -22.6800
96 C8x C 12.6700 -21.2800
97 C8x C 11.4800 -20.5800
98 C8x C 11.4800 -24.7800
99 C8x C 12.6700 -25.4800
100 C8x C 13.9300 -24.7800
101 C8x C 13.9300 -23.3800
102 C1c C 38.1500 -12.1800
103 C1a C 38.1500 -10.7800
104 C1a C 39.3400 -12.8800
105 N1y N 36.9600 -18.4800
106 C1y C 38.2200 -19.1100
107 C1x C 39.1300 -18.0600
108 C1x C 38.5000 -16.8700
109 C1x C 37.1700 -17.1500
110 C5a C 38.2200 -20.5100
111 O5a O 37.0300 -21.2100
112 N1b N 39.4100 -21.2100
113 C1c C 40.6000 -20.5100
114 C5a C 41.7900 -21.1400
115 N1a N 42.9800 -20.4400
116 C1a C 40.6000 -19.0400
117 O5a O 41.7900 -22.5400
118 C6a C 40.8800 -27.8600
119 O6a O 42.0924 -28.5600
120 C1a C 39.6676 -28.5600
121 O6a O 40.8800 -26.4600
BOND 127
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 1 24 1
24 23 25 2
25 20 26 2
26 17 27 2
27 14 28 2
28 11 29 2
29 8 30 2
30 5 31 2
31 22 32 1 #Up
32 32 33 1
33 33 34 1
34 34 35 1
35 35 36 1
36 2 37 2
37 24 38 1
38 38 39 1
39 38 40 2
40 19 41 1 #Down
41 16 42 1 #Down
42 13 43 1 #Down
43 4 44 1 #Down
44 10 45 1 #Up
45 7 46 1 #Up
46 41 47 1
47 47 48 1
48 47 49 1
49 42 50 1
50 50 51 2
51 51 52 1
52 52 53 2
53 53 54 1
54 54 55 2
55 50 55 1
56 53 56 1
57 56 57 1
58 57 58 1
59 57 59 2
60 43 60 1
61 60 61 2
62 61 62 1
63 62 63 2
64 63 64 1
65 64 65 2
66 60 65 1
67 63 66 1
68 66 67 1
69 67 68 2
70 69 67 1 #Up
71 69 70 1
72 70 71 1
73 71 72 1
74 72 73 1
75 73 74 1
76 69 74 1
77 73 75 2
78 71 76 2
79 45 77 1
80 46 78 1
81 78 79 2
82 79 80 1
83 80 81 2
84 81 82 1
85 82 83 2
86 78 83 1
87 44 84 1
88 84 85 2
89 85 86 1
90 86 87 2
91 87 88 1
92 88 89 2
93 84 89 1
94 87 90 1
95 1 91 1 #Up
96 91 92 1
97 92 93 2
98 93 94 1
99 94 95 2
100 95 96 1
101 96 97 2
102 92 97 1
103 94 98 1
104 98 99 2
105 99 100 1
106 100 101 2
107 95 101 1
108 36 102 1
109 102 103 1
110 102 104 1
111 23 105 1
112 105 106 1
113 106 107 1
114 107 108 1
115 108 109 1
116 105 109 1
117 106 110 1 #Up
118 110 111 2
119 110 112 1
120 112 113 1
121 113 114 1
122 114 115 1
123 113 116 1 #Down
124 114 117 2
125 118 119 1
126 118 120 1
127 118 121 2
BRACKET 1 37.1000 -29.4000 37.1000 -25.4800
1 43.9600 -25.4800 43.9600 -29.4000
1 x
ORIGINAL 1 118 119 120 121
REPEAT 1