| Entry |
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Name | Vandetanib (JAN/USAN/INN); Caprelsa (TN) | ||||||||||||
| Product | CAPRELSA (Genzyme Corporation) | ||||||||||||
| Formula | C22H24BrFN4O2 | ||||||||||||
| Exact mass | 474.1067 | ||||||||||||
| Mol weight | 475.354 | ||||||||||||
| Structure |  | ||||||||||||
| Class | Antineoplastic DG01918 Tyrosine kinase inhibitor DG01917 Receptor tyrosine kinase inhibitor Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate Transporter inhibitor DG01622 ABCB1 inhibitor DG02863 SLC22A2 inhibitor | ||||||||||||
| Remark |
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| Efficacy | Antineoplastic, Receptor tyrosine kinase inhibitor | ||||||||||||
| Disease | Medullary thyroid cancer [DS:H01592] | ||||||||||||
| Target | EGFR [HSA:1956] [KO:K04361] VEGFR2 (KDR) [HSA:3791] [KO:K05098] RET [HSA:5979] [KO:K05126] | ||||||||||||
| Pathway |
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| Metabolism | Enzyme: CYP3A4 [HSA:1576] | ||||||||||||
| Interaction | Transporter inhibition: SLC22A2 [HSA:6582], ABCB1 [HSA:5243] | ||||||||||||
| Structure map |
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| 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 L01EX04 Vandetanib D06407 Vandetanib (JAN/USAN/INN) <JP/US> USP drug classification [BR:br08302] Antineoplastics Molecular Target Inhibitors Vandetanib D06407 Vandetanib (JAN/USAN/INN) Therapeutic category of drugs in Japan [BR:br08301] 4 Agents affecting cellular function 42 Antineoplastics 429 Miscellaneous 4291 Other Antitumors D06407 Vandetanib (JAN/USAN/INN) Drug groups [BR:br08330] Antineoplastic DG01918 Tyrosine kinase inhibitor DG01917 Receptor tyrosine kinase inhibitor D06407 Vandetanib Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate D06407 Vandetanib Transporter inhibitor DG01622 ABCB1 inhibitor D06407 Vandetanib DG02863 SLC22A2 inhibitor D06407 Vandetanib Target-based classification of drugs [BR:br08310] Protein kinases Receptor tyrosine kinases (RTK) EGFR family EGFR D06407 Vandetanib (JAN/USAN/INN) <JP/US> VEGFR family VEGFR2 (KDR) D06407 Vandetanib (JAN/USAN/INN) <JP/US> RET family RET D06407 Vandetanib (JAN/USAN/INN) <JP/US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D06407 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D06407 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D06407 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D06407 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D06407 Drug transporters D06407 | ||||||||||||
| Other DBs |
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| KCF data | ATOM 30 1 N1y N 27.1600 -17.7800 2 C1x C 27.1600 -19.1800 3 C1x C 25.9700 -19.8800 4 C1y C 24.7100 -19.1800 5 C1x C 24.7100 -17.7800 6 C1x C 25.9700 -17.0800 7 C1b C 23.5200 -19.8800 8 O2a O 22.3300 -19.1800 9 C8y C 21.1400 -19.8800 10 C8y C 21.1400 -21.2800 11 C8x C 19.8800 -21.9800 12 C8y C 18.6900 -21.2800 13 C8y C 18.6900 -19.8800 14 C8x C 19.8800 -19.1800 15 C8y C 17.5000 -21.9800 16 N5x N 16.2400 -21.2800 17 C8x C 16.2400 -19.8800 18 N5x N 17.5000 -19.1800 19 N1b N 17.5000 -23.3800 20 C8y C 18.6900 -24.0800 21 C8x C 19.8800 -23.3800 22 C8x C 21.1400 -24.0800 23 C8y C 21.1400 -25.4800 24 C8x C 19.9500 -26.1800 25 C8y C 18.6900 -25.4800 26 X Br 22.3300 -26.1800 27 X F 17.5000 -26.1800 28 O2a O 22.3300 -21.9800 29 C1a C 23.5200 -21.2800 30 C1a C 28.3500 -17.0800 BOND 33 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 4 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 2 12 11 12 1 13 12 13 2 14 13 14 1 15 9 14 2 16 12 15 1 17 15 16 2 18 16 17 1 19 17 18 2 20 13 18 1 21 15 19 1 22 19 20 1 23 20 21 1 24 21 22 2 25 22 23 1 26 23 24 2 27 24 25 1 28 20 25 2 29 23 26 1 30 25 27 1 31 10 28 1 32 28 29 1 33 1 30 1 |