| Entry |
| ||||
|---|---|---|---|---|---|
| Name | Edotreotide gallium Ga-68; Ga 68 Dotatoc (TN) | ||||
| Product | GA-68-DOTATOC (UIHC – P E T Imaging Center) | ||||
| Formula | C65H92N14O18S2. Ga | ||||
| Exact mass | 1488.5435 | ||||
| Mol weight | 1491.362 | ||||
| Structure |  | ||||
| Remark |
| ||||
| Efficacy | Diagnostic aid (tumor), Radioactive agent | ||||
| Comment | Indicated for use with positron emission tomography (PET) for the localization of somatostatin receptor positive neuroendocrine tumors (NETs) | ||||
| Target | SSTR2 [HSA:6752] [KO:K04218] | ||||
| Pathway |
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| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] V VARIOUS V09 DIAGNOSTIC RADIOPHARMACEUTICALS V09I TUMOUR DETECTION V09IX Other diagnostic radiopharmaceuticals for tumour detection V09IX09 Gallium (68Ga) edotreotide D11651 Edotreotide gallium Ga-68 <US> Target-based classification of drugs [BR:br08310] G Protein-coupled receptors Rhodopsin family Somatostatin SSTR2 D11651 Edotreotide gallium Ga-68 <US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D11651 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D11651 | ||||
| Other DBs |
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| KCF data | ATOM 100 1 C1y C 16.3963 -16.1160 2 C5x C 16.3963 -17.4474 3 N1x N 17.5174 -18.2181 4 S3x S 18.7787 -16.1160 5 C1x C 17.5174 -15.4153 6 C1x C 21.0910 -16.1160 7 S3x S 19.8998 -15.4153 8 O5x O 22.3522 -18.2181 9 O5x O 23.4733 -17.4474 10 N1x N 23.4733 -16.1160 11 C1y C 22.3522 -15.4153 12 C5x C 24.6645 -18.2181 13 N1x N 25.9258 -17.4474 14 C1y C 25.9258 -16.1160 15 C5x C 24.6645 -15.4153 16 C5x C 22.3522 -19.5494 17 N1x N 23.4733 -20.1801 18 C1y C 24.6645 -19.5494 19 N1x N 19.8998 -19.5494 20 C1y C 21.0910 -20.1801 21 C1y C 17.5174 -19.5494 22 C5x C 18.7787 -20.1801 23 C5a C 22.3522 -14.0840 24 O5a O 23.4733 -13.3833 25 N1b N 21.1610 -13.3833 26 C1c C 21.1610 -11.9819 27 C1b C 22.3522 -11.2812 28 C1c C 19.9699 -11.2812 29 O1a O 23.4733 -11.9819 30 C1a C 18.8487 -11.9819 31 O1a O 19.9699 -9.8798 32 O5x O 24.6645 -14.0840 33 C1c C 27.1170 -15.4153 34 C1a C 28.2381 -16.1160 35 O1a O 27.1170 -14.0840 36 C1b C 25.8557 -20.1801 37 C1b C 27.0469 -19.5494 38 C1b C 28.1680 -20.1801 39 C1b C 29.3592 -19.5494 40 N1a N 30.4803 -20.1801 41 C1b C 21.0910 -21.6515 42 O5x O 18.7787 -21.6515 43 C1b C 16.3963 -20.1801 44 C8y C 16.3963 -21.6515 45 C8x C 15.2051 -22.2822 46 C8x C 15.2051 -23.6836 47 C8y C 16.3963 -24.3843 48 C8x C 17.5174 -23.6836 49 C8x C 17.5174 -22.2822 50 O1a O 16.3963 -25.7156 51 O5x O 15.2051 -18.2181 52 N1b N 15.2051 -15.4153 53 C5a C 14.0139 -16.1160 54 C1c C 12.8228 -15.4153 55 O5a O 14.0139 -17.4474 56 C1b C 11.7016 -16.1160 57 C8y C 11.7016 -17.4474 58 C8x C 10.4404 -18.2181 59 C8x C 10.4404 -19.5494 60 C8x C 11.7016 -20.1801 61 C8x C 12.8228 -19.5494 62 C8x C 12.8228 -18.2181 63 C8y C 22.3522 -22.3522 64 C8y C 22.8427 -23.7536 65 C8y C 24.3142 -23.7536 66 N4x N 24.7346 -22.2822 67 C8x C 23.4733 -21.5114 68 C8x C 22.1420 -24.9448 69 C8x C 22.8427 -26.2061 70 C8x C 24.3142 -26.2061 71 C8x C 25.0149 -24.9448 72 N1b N 12.8228 -14.0139 73 C5a C 14.0840 -13.3132 74 O5a O 15.2752 -14.0139 75 C1b C 14.0840 -11.8418 76 N1y N 12.8228 -11.1411 77 C1x C 11.9118 -12.8928 78 C1x C 10.6506 -12.8928 79 N1y N 10.4404 -11.6316 80 C1x C 9.1791 -11.1411 81 C1x C 9.1791 -9.9499 82 C1x C 14.7847 -10.3703 83 C1x C 14.7847 -9.0390 84 N1y N 13.5235 -8.6886 85 C1x C 13.2432 -7.3573 86 C1x C 12.0520 -7.3573 87 N1y N 10.9309 -9.0390 88 C1b C 14.7847 -7.9879 89 C6a C 15.9759 -8.6886 90 O6a O 17.2371 -7.9879 91 O6a O 15.9759 -10.0900 92 C6a C 7.9879 -11.6316 93 C1b C 9.2492 -12.3323 94 O6a O 6.7968 -12.3323 95 O6a O 7.9879 -10.1601 96 C1b C 9.7397 -8.3383 97 C6a C 9.7397 -6.8668 98 O6a O 10.9309 -6.1661 99 O6a O 8.5485 -6.1661 100 Z Ga 11.2700 -10.4300 BOND 104 1 1 2 1 2 2 3 1 3 4 5 1 4 1 5 1 5 6 7 1 6 4 7 1 7 10 11 1 8 6 11 1 9 9 12 2 10 12 13 1 11 13 14 1 12 14 15 1 13 10 15 1 14 8 16 2 15 16 17 1 16 17 18 1 17 18 12 1 18 19 20 1 19 16 20 1 20 3 21 1 21 21 22 1 22 19 22 1 23 11 23 1 24 23 24 2 25 23 25 1 26 25 26 1 27 26 27 1 #Up 28 26 28 1 29 27 29 1 30 28 30 1 31 28 31 1 #Up 32 15 32 2 33 14 33 1 34 33 34 1 35 33 35 1 36 18 36 1 37 36 37 1 38 37 38 1 39 38 39 1 40 39 40 1 41 20 41 1 42 22 42 2 43 21 43 1 44 43 44 1 45 44 45 2 46 45 46 1 47 46 47 2 48 47 48 1 49 48 49 2 50 44 49 1 51 47 50 1 52 2 51 2 53 1 52 1 54 52 53 1 55 53 54 1 56 53 55 2 57 54 56 1 58 56 57 1 59 57 58 2 60 58 59 1 61 59 60 2 62 60 61 1 63 61 62 2 64 57 62 1 65 41 63 1 66 63 64 1 67 64 65 2 68 65 66 1 69 66 67 1 70 63 67 2 71 64 68 1 72 68 69 2 73 69 70 1 74 70 71 2 75 65 71 1 76 54 72 1 77 72 73 1 78 73 74 2 79 73 75 1 80 75 76 1 81 80 81 1 82 81 87 1 83 77 78 1 84 82 83 1 85 83 84 1 86 78 79 1 87 84 85 1 88 85 86 1 89 79 80 1 90 86 87 1 91 77 76 1 92 82 76 1 93 88 89 1 94 88 84 1 95 89 90 1 96 89 91 2 97 92 93 1 98 93 79 1 99 92 94 1 100 92 95 2 101 87 96 1 102 96 97 1 103 97 98 1 104 97 99 2 |