| Entry |
| ||||||
|---|---|---|---|---|---|---|---|
| Name | Entrectinib (JAN/USAN/INN); Rozlytrek (TN) | ||||||
| Product | ROZLYTREK (Genentech) | ||||||
| Formula | C31H34F2N6O2 | ||||||
| Exact mass | 560.2711 | ||||||
| Mol weight | 560.6375 | ||||||
| Structure |  | ||||||
| Class | Antineoplastic DG01918 Tyrosine kinase inhibitor Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate Metabolizing enzyme inhibitor DG02852 CYP3A/CYP3A4 inhibitor | ||||||
| Remark |
| ||||||
| Efficacy | Antineoplastic, Tyrosine kinase inhibitor | ||||||
| Disease | Non-small cell lung cancer (ROS1-positive) [DS:H00014] Solid tumors (NTRK gene fusion-positive) [DS:H02421] | ||||||
| Comment | Treatment of cancer | ||||||
| Target | NTRK1* (TRKA) [HSA_VAR:4914v1] [HSA:4914] [KO:K03176] ROS1* [HSA_VAR:6098v1] [HSA:6098] [KO:K05088] NTRK2 (TRKB) [HSA:4915] [KO:K04360] NTRK3 (TRKC) [HSA:4916] [KO:K05101] ALK (CD246) [HSA:238] [KO:K05119] | ||||||
| Pathway |
| ||||||
| Metabolism | Enzyme: CYP3A4 [HSA:1576] | ||||||
| Interaction | CYP inhibition: CYP3A [HSA:1576 1577 1551] | ||||||
| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS L01 ANTINEOPLASTIC AGENTS L01E PROTEIN KINASE INHIBITORS L01EX Other protein kinase inhibitors L01EX14 Entrectinib D10926 Entrectinib (JAN/USAN/INN) <JP/US> USP drug classification [BR:br08302] Antineoplastics Molecular Target Inhibitors Entrectinib D10926 Entrectinib (JAN/USAN/INN) Therapeutic category of drugs in Japan [BR:br08301] 4 Agents affecting cellular function 42 Antineoplastics 429 Miscellaneous 4291 Other Antitumors D10926 Entrectinib (JAN/USAN/INN) Drug groups [BR:br08330] Antineoplastic DG01918 Tyrosine kinase inhibitor D10926 Entrectinib Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate D10926 Entrectinib Metabolizing enzyme inhibitor DG02852 CYP3A/CYP3A4 inhibitor D10926 Entrectinib Target-based classification of drugs [BR:br08310] Protein kinases Receptor tyrosine kinases (RTK) INSR family ROS1* [HSA_VAR:6098v1] D10926 Entrectinib (JAN/USAN/INN) <JP/US> TRK family NTRK1* (TRKA) [HSA_VAR:4914v1] D10926 Entrectinib (JAN/USAN/INN) <JP/US> NTRK2 (TRKB) D10926 Entrectinib (JAN/USAN/INN) <JP/US> NTRK3 (TRKC) D10926 Entrectinib (JAN/USAN/INN) <JP/US> ALK family ALK (CD246) D10926 Entrectinib (JAN/USAN/INN) <JP/US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D10926 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D10926 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D10926 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10926 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D10926 Pharmacogenomic biomarkers [br08341.html] Somatic variations in targeted cancer therapies D10926 | ||||||
| Other DBs |
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| KCF data | ATOM 41 1 C8x C 10.5000 -14.9800 2 C8y C 10.5000 -16.3800 3 C8x C 11.7124 -17.0800 4 C8y C 12.9249 -16.3800 5 C8y C 12.9249 -14.9800 6 C8x C 11.7124 -14.2800 7 C8y C 14.2564 -16.8126 8 N5x N 15.0793 -15.6800 9 N4x N 14.2564 -14.5474 10 C1b C 9.2876 -17.0800 11 C8y C 8.0921 -16.3896 12 C8x C 8.0920 -14.9803 13 C8y C 6.8796 -14.2803 14 C8x C 5.6672 -14.9803 15 C8y C 5.6672 -16.3897 16 C8x C 6.8796 -17.0896 17 X F 6.8796 -12.8801 18 X F 4.4611 -17.0860 19 N1b N 14.6875 -18.1394 20 C5a C 16.0669 -18.4326 21 C8y C 17.0295 -17.3631 22 O5a O 16.4963 -19.7527 23 C8y C 18.3797 -17.6498 24 C8x C 19.3163 -16.6092 25 C8y C 18.8834 -15.2778 26 C8x C 17.5332 -14.9911 27 C8x C 16.5966 -16.0317 28 N1y N 19.8363 -14.2192 29 C1x C 21.1787 -14.5042 30 C1x C 22.1153 -13.4635 31 N1y N 21.6823 -12.1322 32 C1x C 20.3399 -11.8472 33 C1x C 19.4033 -12.8878 34 C1a C 22.6378 -11.0705 35 N1b N 18.8124 -18.9809 36 C1y C 20.1964 -19.2750 37 C1x C 20.6252 -20.5931 38 C1x C 21.9947 -20.8836 39 O2x O 22.9311 -19.8429 40 C1x C 22.5023 -18.5248 41 C1x C 21.1328 -18.2342 BOND 46 1 1 2 1 2 2 3 2 3 3 4 1 4 4 5 2 5 5 6 1 6 1 6 2 7 4 7 1 8 7 8 2 9 8 9 1 10 5 9 1 11 2 10 1 12 10 11 1 13 11 12 2 14 12 13 1 15 13 14 2 16 14 15 1 17 15 16 2 18 11 16 1 19 13 17 1 20 15 18 1 21 7 19 1 22 19 20 1 23 20 21 1 24 20 22 2 25 21 23 2 26 23 24 1 27 24 25 2 28 25 26 1 29 26 27 2 30 21 27 1 31 25 28 1 32 28 29 1 33 29 30 1 34 30 31 1 35 31 32 1 36 32 33 1 37 28 33 1 38 31 34 1 39 23 35 1 40 35 36 1 41 36 37 1 42 37 38 1 43 38 39 1 44 39 40 1 45 40 41 1 46 36 41 1 |