| Entry |
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|---|---|---|---|---|---|---|---|
| Name | Ceritinib (JAN/USAN/INN); Zykadia (TN) | ||||||
| Product | ZYKADIA (Novartis Pharmaceuticals Corporation) | ||||||
| Formula | C28H36ClN5O3S | ||||||
| Exact mass | 557.2227 | ||||||
| Mol weight | 558.1351 | ||||||
| Structure |  | ||||||
| Class | Antineoplastic DG01918 Tyrosine kinase inhibitor DG03136 ALK inhibitor Metabolizing enzyme substrate DG01633 CYP3A/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: CYP3A [HSA:1576 1577 1551] | ||||||
| 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 L01ED02 Ceritinib D10551 Ceritinib (JAN/USAN/INN) <JP/US> USP drug classification [BR:br08302] Antineoplastics Molecular Target Inhibitors Ceritinib D10551 Ceritinib (JAN/USAN/INN) Therapeutic category of drugs in Japan [BR:br08301] 4 Agents affecting cellular function 42 Antineoplastics 429 Miscellaneous 4291 Other Antitumors D10551 Ceritinib (JAN/USAN/INN) Drug groups [BR:br08330] Antineoplastic DG01918 Tyrosine kinase inhibitor DG03136 ALK inhibitor D10551 Ceritinib Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate D10551 Ceritinib Drug classes [BR:br08332] Antineoplastic DG03136 ALK inhibitor D10551 Ceritinib Target-based classification of drugs [BR:br08310] Protein kinases Receptor tyrosine kinases (RTK) ALK family EML4-ALK [HSA_VAR:238v2] D10551 Ceritinib (JAN/USAN/INN) <JP/US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D10551 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D10551 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D10551 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10551 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D10551 Pharmacogenomic biomarkers [br08341.html] Somatic variations in targeted cancer therapies D10551 | ||||||
| Other DBs |
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| KCF data | ATOM 38 1 C1x C 5.6700 -17.9200 2 N1x N 5.6700 -19.3200 3 C1x C 6.8824 -20.0200 4 C1x C 8.0949 -19.3200 5 C1y C 8.0949 -17.9200 6 C1x C 6.8824 -17.2200 7 C8y C 9.3260 -17.2090 8 C8y C 10.5312 -17.9047 9 C8x C 11.7435 -17.2046 10 C8y C 11.7435 -15.8046 11 C8y C 10.5383 -15.1089 12 C8x C 9.3259 -15.8090 13 O2a O 10.5385 -13.7204 14 C1a C 10.5316 -19.3196 15 N1b N 12.9614 -15.1012 16 C8y C 14.1734 -15.8007 17 N5x N 14.1740 -17.2196 18 C8x C 15.3867 -17.9190 19 C8y C 16.5989 -17.2185 20 C8y C 16.5982 -15.7996 21 N5x N 15.3855 -15.1002 22 X Cl 17.8056 -17.9145 23 N1b N 17.7954 -15.1079 24 C8y C 19.0016 -15.8039 25 C8x C 19.0023 -17.2196 26 C8x C 20.2151 -17.9190 27 C8x C 21.4272 -17.2184 28 C8x C 21.4265 -15.8027 29 C8y C 20.2137 -15.1033 30 S4a S 20.2131 -13.7201 31 O3c O 21.6131 -13.7201 32 O3c O 18.8131 -13.7201 33 C1c C 20.2131 -12.3201 34 C1a C 21.4382 -11.6127 35 C1a C 19.0134 -11.6274 36 C1c C 9.3498 -13.0337 37 C1a C 8.1658 -13.7170 38 C1a C 9.3498 -11.6203 BOND 41 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 5 7 1 8 7 8 2 9 8 9 1 10 9 10 2 11 10 11 1 12 11 12 2 13 7 12 1 14 11 13 1 15 8 14 1 16 10 15 1 17 15 16 1 18 16 17 2 19 17 18 1 20 18 19 2 21 19 20 1 22 20 21 2 23 16 21 1 24 19 22 1 25 20 23 1 26 23 24 1 27 24 25 2 28 25 26 1 29 26 27 2 30 27 28 1 31 28 29 2 32 24 29 1 33 29 30 1 34 30 31 2 35 30 32 2 36 30 33 1 37 33 34 1 38 33 35 1 39 13 36 1 40 36 37 1 41 36 38 1 |