| Entry |
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|---|---|---|---|---|---|---|---|
| Name | Brigatinib (JAN/USAN); Alunbrig (TN) | ||||||
| Product | ALUNBRIG (Takeda Pharmaceuticals America) | ||||||
| Formula | C29H39ClN7O2P | ||||||
| Exact mass | 583.2591 | ||||||
| Mol weight | 584.0924 | ||||||
| Structure |  | ||||||
| Class | Antineoplastic DG01918 Tyrosine kinase inhibitor DG03136 ALK inhibitor Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate | ||||||
| Remark |
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| Efficacy | Antineoplastic, Anaplastic lymphoma kinase (ALK) inhibitor | ||||||
| Disease | Non-small cell lung cancer (ALK positive) [DS:H00014] | ||||||
| Target | EML4-ALK [HSA_VAR:238v2] [HSA:238] [KO:K05119] | ||||||
| Network |
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| Pathway |
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| Metabolism | Enzyme: CYP3A4 [HSA:1576] | ||||||
| Interaction | |||||||
| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS L01 ANTINEOPLASTIC AGENTS L01E PROTEIN KINASE INHIBITORS L01ED Anaplastic lymphoma kinase (ALK) inhibitors L01ED04 Brigatinib D10866 Brigatinib (JAN/USAN) <JP/US> USP drug classification [BR:br08302] Antineoplastics Molecular Target Inhibitors Brigatinib D10866 Brigatinib (JAN/USAN) Therapeutic category of drugs in Japan [BR:br08301] 4 Agents affecting cellular function 42 Antineoplastics 429 Miscellaneous 4291 Other Antitumors D10866 Brigatinib (JAN/USAN) Drug groups [BR:br08330] Antineoplastic DG01918 Tyrosine kinase inhibitor DG03136 ALK inhibitor D10866 Brigatinib Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate D10866 Brigatinib Drug classes [BR:br08332] Antineoplastic DG03136 ALK inhibitor D10866 Brigatinib Target-based classification of drugs [BR:br08310] Protein kinases Receptor tyrosine kinases (RTK) ALK family EML4-ALK [HSA_VAR:238v2] D10866 Brigatinib (JAN/USAN) <JP/US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D10866 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D10866 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D10866 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10866 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D10866 Pharmacogenomic biomarkers [br08341.html] Somatic variations in targeted cancer therapies D10866 | ||||||
| Other DBs |
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| KCF data | ATOM 40 1 C8y C 22.4000 -17.0100 2 C8x C 22.4000 -18.4100 3 C8x C 23.6124 -19.1100 4 C8x C 24.8249 -18.4100 5 C8x C 24.8249 -17.0100 6 C8y C 23.6124 -16.3100 7 N1b N 21.1876 -16.3100 8 C8y C 19.9921 -17.0004 9 N5x N 18.8047 -16.3149 10 C8y C 17.5923 -17.0150 11 N5x N 17.5924 -18.4150 12 C8x C 18.7797 -19.1004 13 C8y C 19.9921 -18.4004 14 N1b N 16.3610 -16.3040 15 C8y C 15.1603 -16.9973 16 C8x C 13.9756 -16.3133 17 C8x C 12.7632 -17.0133 18 C8y C 12.7632 -18.4133 19 C8x C 13.9479 -19.0973 20 C8y C 15.1603 -18.3973 21 N1y N 11.5350 -19.1226 22 C1x C 10.3284 -18.4261 23 C1x C 9.1160 -19.1262 24 C1y C 9.1161 -20.5262 25 C1x C 10.3226 -21.2227 26 C1x C 11.5350 -20.5226 27 N1y N 7.8988 -21.2292 28 C1x C 6.6865 -20.5295 29 C1x C 5.4742 -21.2296 30 N1y N 5.4744 -22.6296 31 C1x C 6.6867 -23.3293 32 C1x C 7.8990 -22.6292 33 C1a C 4.2599 -23.3310 34 X Cl 21.2296 -19.1149 35 P1a P 23.6124 -14.9102 36 O3b O 23.6124 -13.5102 37 C1a C 25.0124 -14.9102 38 C1a C 22.2124 -14.9102 39 O2a O 16.4004 -19.1134 40 C1a C 16.4004 -20.5134 BOND 44 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 1 7 1 8 7 8 1 9 8 9 2 10 9 10 1 11 10 11 2 12 11 12 1 13 12 13 2 14 8 13 1 15 10 14 1 16 14 15 1 17 15 16 2 18 16 17 1 19 17 18 2 20 18 19 1 21 19 20 2 22 15 20 1 23 18 21 1 24 21 22 1 25 22 23 1 26 23 24 1 27 24 25 1 28 25 26 1 29 21 26 1 30 24 27 1 31 27 28 1 32 28 29 1 33 29 30 1 34 30 31 1 35 31 32 1 36 27 32 1 37 30 33 1 38 13 34 1 39 6 35 1 40 35 36 2 41 35 37 1 42 35 38 1 43 20 39 1 44 39 40 1 |