| Entry |
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| Name |
Nafarelin acetate (USAN);
Nafarelin acetate hydrate (JAN);
Synarel (TN) |
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| Product |
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| Formula |
C66H83N17O13. (C2H4O2)x. yH2O
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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 |
| Therapeutic category: | 2499 |
| Product (DG00500): | D00990<JP/US> |
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| Efficacy |
Anti-endometriosis, Gonadotropin-releasing hormone receptor agonist |
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| Disease |
Central precocious puberty [DS: H02018] Endometriosis [DS: H01639] |
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| Target |
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
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| Network |
| nt06323 | KISS1-GnRH-LH/FSH-E2 signaling |
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| Interaction |
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| Structure map |
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| 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
H01CA Gonadotropin-releasing hormones
H01CA02 Nafarelin
D00990 Nafarelin acetate (USAN) <JP/US>
USP drug classification [BR:br08302]
Hormonal Agents, Suppressant (Pituitary)
Nafarelin
D00990 Nafarelin acetate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
24 Hormones
249 Miscellaneous
2499 Others
D00990 Nafarelin acetate (USAN); Nafarelin acetate hydrate (JAN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00500 Nafarelin
D00990 Nafarelin acetate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D00990 Nafarelin acetate (USAN) <JP/US>
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00500 Nafarelin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 101
1 C8y C 12.5147 -13.1477
2 C8y C 12.9208 -11.8245
3 C1b C 11.3224 -13.8346
4 C8x C 13.6451 -13.9469
5 C8y C 14.2943 -11.8186
6 C8x C 12.2281 -10.6508
7 C1c C 11.3224 -15.2140
8 N4x N 14.7438 -13.1230
9 C8x C 14.9683 -10.6133
10 C8x C 12.8892 -9.4457
11 N1b N 10.1303 -15.9067
12 C5a C 12.5147 -15.9067
13 C8x C 14.2757 -9.4271
14 C5a C 8.9379 -15.2140
15 N1b N 13.7072 -15.2140
16 O5a O 12.5147 -17.2802
17 C1c C 7.7456 -15.9067
18 O5a O 8.9379 -13.8346
19 C1c C 14.8993 -15.9067
20 C1b C 7.7456 -17.2802
21 N1b N 6.5535 -15.2140
22 C5a C 16.1046 -15.2140
23 C1b C 14.8993 -17.2802
24 C8y C 8.9379 -17.9671
25 C5a C 5.3611 -15.9067
26 N1b N 17.2909 -15.9067
27 O5a O 16.1046 -13.8346
28 O1a O 16.1046 -17.9671
29 C8x C 10.2461 -17.5408
30 N5x N 8.9551 -19.3649
31 C1y C 4.1631 -15.2140
32 O5a O 5.3611 -17.2802
33 C1c C 18.4832 -15.2140
34 N4x N 11.0651 -18.6450
35 C8x C 10.2771 -19.7822
36 C1x C 2.8671 -15.6762
37 N1x N 4.1357 -13.8301
38 C1b C 18.4832 -13.8346
39 C5a C 19.6941 -15.9067
40 C1x C 2.0593 -14.5662
41 C5x C 2.8228 -13.4352
42 C8y C 19.6941 -13.1477
43 N1b N 20.8675 -15.2140
44 O5a O 19.6754 -17.1247
45 O5x O 2.3749 -12.1246
46 C8x C 20.8675 -13.8346
47 C8x C 19.6754 -11.7683
48 C1c C 22.0788 -15.9067
49 C8x C 22.0600 -13.1477
50 C8x C 20.8675 -11.0815
51 C1b C 22.0274 -18.0854
52 C5a C 23.2710 -15.2140
53 C8y C 22.0600 -11.7683
54 C8y C 20.8351 -18.7791
55 N1b N 24.4632 -15.9067
56 O5a O 23.2710 -13.8346
57 O1a O 23.2524 -11.0815
58 C8x C 20.8351 -20.1457
59 C8x C 19.6428 -18.0854
60 C1c C 25.6557 -15.2140
61 C8y C 19.6428 -20.8454
62 C8x C 18.4506 -18.7791
63 C5a C 26.8478 -15.9067
64 C1b C 25.6557 -13.8346
65 C8y C 18.4506 -20.1457
66 C8x C 19.6428 -22.2248
67 N1b N 28.0531 -15.2140
68 O5a O 26.8478 -17.2802
69 C1c C 26.8478 -13.1477
70 C8x C 17.2769 -20.8454
71 C8x C 18.4506 -22.9176
72 C1c C 29.2452 -15.9067
73 C1a C 28.0531 -13.8346
74 C1a C 26.8478 -11.7683
75 C8x C 17.2769 -22.2121
76 C5a C 30.4375 -15.2140
77 C1b C 29.2452 -17.2802
78 N1y N 31.6299 -15.9067
79 O5a O 30.4375 -13.8346
80 C1b C 28.0531 -17.9671
81 C1y C 33.0034 -15.8625
82 C1x C 31.1991 -17.2241
83 C1b C 28.0531 -19.3595
84 C1x C 33.4339 -17.2371
85 C5a C 34.1958 -15.2269
86 C1x C 32.3106 -18.0292
87 N1b N 26.8478 -20.0462
88 N1b N 35.3879 -15.9325
89 O5a O 34.1958 -13.8532
90 C2c C 25.6557 -19.3595
91 N1a N 25.6557 -17.9671
92 N2a N 24.4632 -20.0462
93 C1b C 36.6087 -15.2204
94 C5a C 37.8121 -15.9076
95 N1a N 39.0197 -15.2028
96 O5a O 37.8184 -17.2899
97 C6a C 5.0090 -20.9680
98 C1a C 3.7981 -21.6794
99 O6a O 6.2199 -21.6794
100 O6a O 5.0661 -19.5627
101 O0 O 11.4975 -21.7416
BOND 106
1 1 4 2
2 2 5 2
3 2 6 1
4 3 7 1
5 4 8 1
6 5 9 1
7 6 10 2
8 7 11 1
9 7 12 1
10 9 13 2
11 11 14 1
12 12 15 1
13 12 16 2
14 14 17 1
15 14 18 2
16 15 19 1
17 17 20 1
18 17 21 1
19 19 22 1
20 19 23 1
21 20 24 1
22 21 25 1
23 22 26 1
24 22 27 2
25 23 28 1
26 24 29 2
27 24 30 1
28 25 31 1
29 25 32 2
30 26 33 1
31 29 34 1
32 30 35 2
33 31 36 1
34 31 37 1
35 33 38 1
36 33 39 1
37 36 40 1
38 37 41 1
39 38 42 1
40 39 43 1
41 39 44 2
42 41 45 2
43 42 46 2
44 42 47 1
45 43 48 1
46 46 49 1
47 47 50 2
48 48 51 1
49 48 52 1
50 49 53 2
51 51 54 1
52 52 55 1
53 52 56 2
54 53 57 1
55 54 58 2
56 54 59 1
57 55 60 1
58 58 61 1
59 59 62 2
60 60 63 1
61 60 64 1
62 61 65 2
63 61 66 1
64 63 67 1
65 63 68 2
66 64 69 1
67 65 70 1
68 66 71 2
69 67 72 1
70 69 73 1
71 69 74 1
72 70 75 2
73 72 76 1
74 72 77 1
75 76 78 1
76 76 79 2
77 77 80 1
78 78 81 1
79 78 82 1
80 80 83 1
81 81 84 1
82 81 85 1
83 82 86 1
84 83 87 1
85 85 88 1
86 85 89 2
87 87 90 1
88 90 91 1
89 90 92 2
90 5 8 1
91 10 13 1
92 34 35 1
93 40 41 1
94 50 53 1
95 62 65 1
96 71 75 1
97 84 86 1
98 1 2 1
99 1 3 1
100 88 93 1
101 93 94 1
102 94 95 1
103 94 96 2
104 97 98 1
105 97 99 1
106 97 100 2
BRACKET 1 2.1700 -22.8900 2.1700 -18.6900
1 7.4900 -18.6900 7.4900 -22.8900
1 x
ORIGINAL 1 97 98 99 100
REPEAT 1
2 9.6600 -22.8200 9.6600 -20.7200
2 12.0400 -20.7200 12.0400 -22.8200
2 y
ORIGINAL 2 101
REPEAT 2
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