ENTRY D00990 Drug NAME Nafarelin acetate (USAN); Nafarelin acetate hydrate (JAN); Synarel (TN) PRODUCT SYNAREL (Pfizer Laboratories Div Pfizer) FORMULA C66H83N17O13. (C2H4O2)x. yH2O CLASS Hormonal agent DG01494 Gonadotropin-releasing hormone receptor agonist REMARK Therapeutic category: 2499 ATC code: H01CA02 Chemical structure group: DG00500 Product (DG00500): D00990 EFFICACY Anti-endometriosis, Gonadotropin-releasing hormone receptor agonist DISEASE Central precocious puberty [DS:H02018] Endometriosis [DS:H01639] TARGET GNRHR [HSA:2798] [KO:K04280] PATHWAY hsa04080(2798) Neuroactive ligand-receptor interaction hsa04912(2798) GnRH signaling pathway NETWORK nt06323 KISS1-GnRH-LH/FSH-E2 signaling INTERACTION STR_MAP map07114 Naphthalene family 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 DBLINKS CAS: 86220-42-0 PubChem: 7848053 ChEBI: 7446 LigandBox: D00990 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 ///