| Entry |
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|---|---|---|---|---|---|---|---|---|---|
| Name | Rupatadine fumarate (JAN); Rinialer (TN); Rupafin (TN) | ||||||||
| Formula | C26H26ClN3. C4H4O4 | ||||||||
| Exact mass | 531.1925 | ||||||||
| Mol weight | 532.0299 | ||||||||
| Structure |  | ||||||||
| Simcomp | |||||||||
| Class | Anti-allergic agent DG01557 Histamine receptor antagonist DG01482 Histamine receptor H1 antagonist Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate | ||||||||
| Remark |
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| Efficacy | Antiallergic, H1 receptor antagonist, Platelet activating factor (PAF) antagonist | ||||||||
| Target | HRH1 [HSA:3269] [KO:K04149] PTAFR [HSA:5724] [KO:K04279] | ||||||||
| Pathway |
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| Metabolism | Enzyme: CYP3A4 [HSA:1576] | ||||||||
| Interaction | |||||||||
| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] R RESPIRATORY SYSTEM R06 ANTIHISTAMINES FOR SYSTEMIC USE R06A ANTIHISTAMINES FOR SYSTEMIC USE R06AX Other antihistamines for systemic use R06AX28 Rupatadine D08497 Rupatadine fumarate (JAN) <JP> Therapeutic category of drugs in Japan [BR:br08301] 4 Agents affecting cellular function 44 Allergic agents 449 Miscellaneous 4490 Miscellaneous D08497 Rupatadine fumarate (JAN) Drug groups [BR:br08330] Anti-allergic agent DG01557 Histamine receptor antagonist DG01482 Histamine receptor H1 antagonist DG01118 Rupatadine D08497 Rupatadine fumarate Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG01118 Rupatadine D08497 Rupatadine fumarate Drug classes [BR:br08332] Anti-allergic agent DG01482 Histamine receptor H1 antagonist D08497 Rupatadine fumarate Target-based classification of drugs [BR:br08310] G Protein-coupled receptors Rhodopsin family Histamine HRH1 D08497 Rupatadine fumarate (JAN) <JP> Platelet activating factor PTAFR D08497 Rupatadine fumarate (JAN) <JP> New drug approvals in Japan [br08318.html] Drugs with new active ingredients D08497 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D08497 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D08497 Drug groups [BR:br08330] Anti-allergic agent DG01557 Histamine receptor antagonist DG01482 Histamine receptor H1 antagonist DG01118 Rupatadine Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG01118 Rupatadine | ||||||||
| Other DBs |
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| KCF data | ATOM 38 1 O6a O 22.1892 -18.0970 2 C6a C 23.3993 -17.3984 3 C2b C 24.6095 -18.0970 4 C2b C 25.8197 -17.3984 5 C6a C 27.0298 -18.0970 6 O6a O 28.2401 -17.3984 7 O6a O 27.0298 -19.4943 8 O6a O 23.3993 -16.0011 9 C8y C 13.0288 -19.5110 10 C2y C 14.2955 -18.9208 11 C8y C 15.5547 -19.5374 12 C8y C 15.8539 -20.8966 13 C8y C 12.7056 -20.8840 14 C1x C 14.9777 -21.9938 15 C1x C 13.5747 -21.9841 16 C8x C 17.1899 -21.3201 17 C8x C 18.2248 -20.3748 18 C8x C 17.9255 -19.0156 19 N5x N 16.5895 -18.5921 20 C8x C 12.0078 -18.5508 21 C8x C 10.6657 -18.9550 22 C8y C 10.3426 -20.3280 23 C8x C 11.3636 -21.2882 24 X Cl 9.0272 -20.7244 25 C2y C 14.3090 -17.5256 26 C1x C 15.5197 -16.8420 27 C1x C 15.5331 -15.4405 28 N1y N 14.3262 -14.7281 29 C1x C 13.1155 -15.4117 30 C1x C 13.1020 -16.8131 31 C1b C 14.3398 -13.3215 32 C8y C 15.4735 -12.5605 33 C8x C 16.7209 -13.2154 34 C8y C 17.8356 -12.4666 35 C8x C 17.8495 -11.0661 36 N5x N 16.6020 -10.4112 37 C8x C 15.4873 -11.1600 38 C1a C 19.1618 -13.1669 BOND 41 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 1 6 5 7 2 7 2 8 2 8 11 12 1 9 9 13 1 10 12 14 1 11 10 11 1 12 13 15 1 13 9 10 1 14 14 15 1 15 12 16 2 16 16 17 1 17 17 18 2 18 18 19 1 19 11 19 2 20 9 20 2 21 20 21 1 22 21 22 2 23 22 23 1 24 13 23 2 25 22 24 1 26 10 25 2 27 25 26 1 28 26 27 1 29 27 28 1 30 28 29 1 31 29 30 1 32 25 30 1 33 28 31 1 34 31 32 1 35 32 33 2 36 33 34 1 37 34 35 2 38 35 36 1 39 36 37 2 40 32 37 1 41 34 38 1 |