Entry
Name
Ganirelix acetate (JAN/USAN); Ganirelix acetate injection (TN); Ganirest (TN)
Product
Generic
Formula
C80H113ClN18O13. (C2H4O2)2
Exact mass
1688.8846
Mol weight
1690.42
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Therapeutic category: 2499
Product (DG00504): D04302<JP /US>
Efficacy
Gonadotropin-releasing hormone receptor antagonist
Comment
pituitary hormone-release inhibiting peptide
Target
Pathway
hsa04080 Neuroactive ligand-receptor 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
H01CC Anti-gonadotropin-releasing hormones
H01CC01 Ganirelix
D04302 Ganirelix acetate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302 ]
Hormonal Agents, Suppressant (Pituitary)
Ganirelix
D04302 Ganirelix acetate (JAN/USAN)
Infertility Agents
Ganirelix
D04302 Ganirelix acetate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301 ]
2 Agents affecting individual organs
24 Hormones
249 Miscellaneous
2499 Others
D04302 Ganirelix acetate (JAN/USAN)
Target-based classification of drugs [BR:br08310 ]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D04302 Ganirelix acetate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html ]
New molecular entities and new therapeutic biological products
D04302
New drug approvals in Europe [br08329.html ]
European public assessment reports (EPAR) authorised medicine
D04302
New drug approvals in Japan [br08318.html ]
Drugs with new active ingredients
D04302
New drug approvals in the USA, Europe and Japan [br08328.html ]
Approval dates by FDA, EMA and PMDA
D04302
BRITE hierarchy
Other DBs
KCF data
Show ATOM 120
1 C8x C 10.9675 -17.0192
2 C8x C 10.9675 -18.4000
3 C8x C 12.1632 -19.0902
4 C8y C 13.3589 -18.4000
5 C8y C 13.3589 -17.0192
6 C8x C 12.1632 -16.3289
7 C8x C 14.5546 -19.0902
8 C8x C 15.7503 -18.4000
9 C8y C 15.7503 -17.0192
10 C8x C 14.5546 -16.3289
11 N1b N 18.1417 -18.7451
12 C1c C 18.1417 -17.0192
13 C1b C 16.9460 -16.3289
14 C5a C 19.3374 -19.4354
15 N1b N 20.5331 -17.0192
16 C5a C 19.3374 -16.3289
17 O5a O 22.9245 -18.4000
18 C5a C 22.9245 -17.0192
19 C1c C 21.7288 -16.3289
20 C1b C 25.3159 -18.5380
21 C1c C 25.3159 -17.0192
22 N1b N 24.1202 -16.3289
23 N1b N 27.7073 -17.0192
24 C5a C 26.5116 -16.3289
25 O5a O 30.0987 -18.4000
26 C5a C 30.0987 -17.0192
27 C1c C 28.9029 -16.3289
28 C1b C 32.4899 -18.4689
29 C1c C 32.4899 -17.0192
30 N1b N 31.2943 -16.3289
31 O5a O 19.3374 -14.9484
32 C1b C 21.7288 -13.8370
33 O5a O 26.5116 -14.9483
34 N1b N 34.8814 -17.0192
35 C5a C 33.6857 -16.3289
36 O5a O 37.2728 -18.4000
37 C5a C 37.2728 -17.0192
38 C1c C 36.0770 -16.3289
39 C1b C 39.6642 -18.7451
40 C1c C 39.6642 -17.0192
41 N1b N 38.4684 -16.3289
42 N1b N 42.0555 -17.0192
43 C5a C 40.8599 -16.3289
44 O5a O 44.4470 -18.4000
45 C5a C 44.4470 -17.0192
46 C1c C 43.2513 -16.3289
47 O5a O 33.6857 -14.9483
48 O5a O 40.8599 -14.9483
49 N1y N 45.6426 -16.3289
50 C1y C 46.7180 -17.1691
51 C1x C 47.8448 -16.4039
52 C1x C 47.4654 -15.0254
53 C1x C 46.1040 -15.0524
54 C1a C 20.5204 -18.7523
55 O5a O 19.3374 -20.8160
56 C8y C 20.5390 -13.1502
57 C8x C 20.5389 -11.7663
58 C8x C 19.3432 -11.0760
59 C8y C 18.1476 -11.7664
60 C8x C 18.1476 -13.1503
61 C8x C 19.3433 -13.8406
62 X Cl 16.9512 -11.0758
63 C5a C 46.7180 -18.5497
64 O5a O 45.5340 -19.2333
65 N1b N 47.9151 -19.2409
66 C1c C 49.1052 -18.5539
67 C5a C 50.2706 -19.2267
68 N1a N 51.4482 -18.5466
69 O5a O 50.2706 -20.6088
70 C1a C 49.1055 -17.1577
71 C1c C 40.8758 -19.4446
72 C1a C 42.0628 -18.7593
73 C1a C 40.8757 -20.8160
74 C8y C 33.6977 -19.1662
75 C8x C 33.6976 -20.5399
76 C8x C 34.8931 -21.2303
77 C8y C 36.0889 -20.5401
78 C8x C 36.0890 -19.1664
79 C8x C 34.8933 -18.4760
80 O1a O 37.2896 -21.2333
81 C8y C 26.5195 -19.2330
82 C8x C 26.5194 -20.6089
83 C8x C 27.7150 -21.2992
84 C8x C 28.9108 -20.6090
85 N5x N 28.9109 -19.2331
86 C8x C 27.7152 -18.5427
87 C1b C 36.0769 -13.2346
88 C1b C 34.8744 -12.5403
89 C1b C 28.9028 -14.9145
90 O1a O 30.1354 -14.2027
91 C1b C 43.2512 -14.5646
92 C1b C 44.4883 -13.8502
93 C1b C 33.6557 -13.2440
94 C1b C 32.4481 -12.5467
95 N2b N 31.2668 -13.2287
96 C2c C 30.0724 -12.5390
97 N1b N 28.8846 -13.2248
98 N1b N 30.0723 -11.1303
99 C1b C 27.6936 -12.5370
100 C1a C 26.5040 -13.2238
101 C1b C 28.8806 -10.4421
102 C1a C 27.6955 -11.1263
103 C1b C 45.7287 -14.5664
104 C1b C 46.9298 -13.8728
105 N2b N 48.1143 -14.5567
106 C2c C 49.3070 -13.8680
107 N1b N 50.4957 -14.5542
108 C1b C 51.6863 -13.8667
109 C1a C 52.8761 -14.5536
110 N1b N 49.3070 -12.4603
111 C1b C 50.4992 -11.7718
112 C1a C 51.6847 -12.4561
113 C6a C 14.1484 -14.3270
114 C1a C 15.3455 -15.0199
115 O6a O 12.9570 -15.0199
116 O6a O 14.1484 -12.9466
117 C6a C 14.1484 -14.3270
118 C1a C 15.3455 -15.0199
119 O6a O 12.9570 -15.0199
120 O6a O 14.1484 -12.9466
BOND 123
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 12 11 1 #Down
13 12 13 1
14 9 13 1
15 11 14 1
16 15 16 1
17 12 16 1
18 17 18 2
19 18 19 1
20 15 19 1
21 21 20 1 #Up
22 21 22 1
23 18 22 1
24 23 24 1
25 21 24 1
26 25 26 2
27 26 27 1
28 23 27 1
29 29 28 1 #Down
30 29 30 1
31 26 30 1
32 16 31 2
33 19 32 1 #Down
34 24 33 2
35 34 35 1
36 29 35 1
37 36 37 2
38 37 38 1
39 34 38 1
40 40 39 1 #Down
41 40 41 1
42 37 41 1
43 42 43 1
44 40 43 1
45 44 45 2
46 45 46 1
47 42 46 1
48 35 47 2
49 43 48 2
50 45 49 1
51 49 50 1
52 50 51 1
53 51 52 1
54 52 53 1
55 49 53 1
56 14 54 1
57 14 55 2
58 32 56 1
59 56 57 2
60 57 58 1
61 58 59 2
62 59 60 1
63 60 61 2
64 56 61 1
65 59 62 1
66 50 63 1 #Up
67 63 64 2
68 63 65 1
69 65 66 1
70 66 67 1
71 67 68 1
72 67 69 2
73 66 70 1 #Down
74 39 71 1
75 71 72 1
76 71 73 1
77 28 74 1
78 74 75 2
79 75 76 1
80 76 77 2
81 77 78 1
82 78 79 2
83 74 79 1
84 77 80 1
85 20 81 1
86 81 82 2
87 82 83 1
88 83 84 2
89 84 85 1
90 85 86 2
91 81 86 1
92 38 87 1 #Down
93 87 88 1
94 27 89 1 #Up
95 89 90 1
96 46 91 1 #Up
97 91 92 1
98 88 93 1
99 93 94 1
100 94 95 1
101 95 96 2
102 96 97 1
103 96 98 1
104 97 99 1
105 99 100 1
106 98 101 1
107 101 102 1
108 92 103 1
109 103 104 1
110 104 105 1
111 105 106 2
112 106 107 1
113 107 108 1
114 108 109 1
115 106 110 1
116 110 111 1
117 111 112 1
118 113 114 1
119 113 115 1
120 113 116 2
121 117 118 1
122 117 119 1
123 117 120 2
BRACKET 1 11.5500 -15.7500 11.5500 -12.2500
1 16.7300 -12.2500 16.7300 -15.7500
1 2
ORIGINAL 1 113 114 115 116
REPEAT 1 117 118 119 120