| Entry |
| ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Name | Ibrutinib (JAN/USAN); Imbruvica (TN) | ||||||||
| Formula | C25H24N6O2 | ||||||||
| Exact mass | 440.1961 | ||||||||
| Mol weight | 440.4971 | ||||||||
| Structure |  | ||||||||
| Class | Antineoplastic DG01918 Tyrosine kinase inhibitor DG02022 BTK inhibitor Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate | ||||||||
| Remark |
| ||||||||
| Efficacy | Antineoplastic, Bruton's tyrosine kinase inhibitor | ||||||||
| Disease | Mantle cell lymphoma [DS:H01464] Chronic lymphocytic leukemia [DS:H00005] Chronic lymphocytic leukemia (chromosome 17p deletion) [DS:H00005] Waldenstr?m's macroglobulinemia [DS:H00011] Chronic graft versus host disease [DS:H00084] | ||||||||
| Target | BTK [HSA:695] [KO:K07370] | ||||||||
| Pathway |
| ||||||||
| 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 L01EL Bruton's tyrosine kinase (BTK) inhibitors L01EL01 Ibrutinib D10223 Ibrutinib (JAN/USAN) <JP> USP drug classification [BR:br08302] Antineoplastics Molecular Target Inhibitors Ibrutinib D10223 Ibrutinib (JAN/USAN) Therapeutic category of drugs in Japan [BR:br08301] 4 Agents affecting cellular function 42 Antineoplastics 429 Miscellaneous 4291 Other Antitumors D10223 Ibrutinib (JAN/USAN) Drug groups [BR:br08330] Antineoplastic DG01918 Tyrosine kinase inhibitor DG02022 BTK inhibitor D10223 Ibrutinib Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate D10223 Ibrutinib Drug classes [BR:br08332] Antineoplastic DG02022 BTK inhibitor D10223 Ibrutinib Target-based classification of drugs [BR:br08310] Protein kinases Non-receptor tyrosine kinases Tec family BTK D10223 Ibrutinib (JAN/USAN) <JP> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D10223 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D10223 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D10223 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10223 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D10223 Pharmacogenomic biomarkers [br08341.html] Somatic variations in targeted cancer therapies D10223 | ||||||||
| Other DBs |
| ||||||||
| KCF data | ATOM 33 1 C8x C 18.4100 -20.7200 2 N5x N 18.4100 -22.1200 3 C8y C 19.6000 -22.8200 4 C8y C 20.8600 -22.1200 5 C8y C 20.8600 -20.7200 6 N5x N 19.6000 -20.0200 7 N1a N 19.6000 -24.2200 8 C8y C 22.1900 -22.5400 9 N5x N 22.9600 -21.4200 10 N4y N 22.1900 -20.3000 11 C8y C 23.3800 -23.2400 12 C8x C 23.3800 -24.6400 13 C8x C 24.6400 -25.3400 14 C8y C 25.8300 -24.6400 15 C8x C 25.8300 -23.2400 16 C8x C 24.6400 -22.5400 17 O2a O 27.0200 -25.3400 18 C8y C 28.2100 -24.6400 19 C8x C 29.4000 -25.3400 20 C8x C 30.6600 -24.6400 21 C8x C 30.6600 -23.2400 22 C8x C 29.4700 -22.5400 23 C8x C 28.2100 -23.2400 24 C1y C 22.6800 -18.9700 25 C1x C 24.0800 -18.6900 26 N1y N 24.5000 -17.3600 27 C1x C 23.5900 -16.3100 28 C1x C 22.1900 -16.5900 29 C1x C 21.7000 -17.9200 30 C5a C 25.6900 -16.6600 31 C2b C 26.8800 -17.3600 32 O5a O 25.6900 -15.2600 33 C2a C 28.0700 -16.6600 BOND 37 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 3 7 1 8 4 8 1 9 8 9 2 10 9 10 1 11 5 10 1 12 8 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 14 17 1 20 17 18 1 21 18 19 2 22 19 20 1 23 20 21 2 24 21 22 1 25 22 23 2 26 18 23 1 27 24 10 1 #Down 28 24 25 1 29 25 26 1 30 26 27 1 31 27 28 1 32 28 29 1 33 24 29 1 34 30 31 1 35 30 26 1 36 30 32 2 37 31 33 2 |