| Name |
Afatinib dimaleate (USAN);Afatinib maleate (JAN);Gilotrif (TN);Giotrif (TN) |
| Product |
GILOTRIF (Boehringer Ingelheim Pharmaceuticals) |
| Formula |
C24H25ClFN5O3. (C4H4O4)2 |
| Exact mass |
717.1849 |
| Mol weight |
718.08 |
| Structure |
 |
| Class |
Antineoplastic DG01918 Tyrosine kinase inhibitor DG01917 Receptor tyrosine kinase inhibitor DG03162 EGFR inhibitorTransporter substrate DG01665 ABCB1 substrate |
| Remark |
Therapeutic category: 4291ATC code: L01EB03Chemical structure group: DG00717Product (DG00717): D09733<JP/US> |
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
| Disease |
Non-small cell lung cancer (EGFR mutation positive) [DS:H00014] |
| Target |
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]ERBB2 (HER2, CD340) [HSA:2064] [KO:K05083]ERBB4 (HER4) [HSA:2066] [KO:K05085] |
| Pathway |
hsa04010 MAPK signaling pathwayhsa04012 ErbB signaling pathwayhsa05200 Pathways in cancerhsa05223 Non-small cell lung cancer |
| Network |
nt06266 Non-small cell lung cancer |
| Metabolism |
Transporter: ABCB1 [HSA:5243] |
| Interaction |
|
| Structure map |
map07045 Antineoplastics - protein kinase inhibitors |
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS L01 ANTINEOPLASTIC AGENTS L01E PROTEIN KINASE INHIBITORS L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors L01EB03 Afatinib D09733 Afatinib dimaleate (USAN) <JP/US>USP drug classification [BR:br08302] Antineoplastics Molecular Target Inhibitors Epidermal Growth Factor Receptor Inhibitors Afatinib D09733 Afatinib dimaleate (USAN)Therapeutic category of drugs in Japan [BR:br08301] 4 Agents affecting cellular function 42 Antineoplastics 429 Miscellaneous 4291 Other Antitumors D09733 Afatinib dimaleate (USAN); Afatinib maleate (JAN)Drug groups [BR:br08330] Antineoplastic DG01918 Tyrosine kinase inhibitor DG01917 Receptor tyrosine kinase inhibitor DG03162 EGFR inhibitor DG00717 Afatinib D09733 Afatinib dimaleate Transporter substrate DG01665 ABCB1 substrate DG00717 Afatinib D09733 Afatinib dimaleateDrug classes [BR:br08332] Antineoplastic DG03162 EGFR inhibitor D09733 Afatinib dimaleateTarget-based classification of drugs [BR:br08310] Protein kinases Receptor tyrosine kinases (RTK) EGFR family EGFR* [HSA_VAR:1956v2] D09733 Afatinib dimaleate (USAN) <JP/US> ERBB2 (HER2, CD340) D09733 Afatinib dimaleate (USAN) <JP/US> ERBB4 (HER4) D09733 Afatinib dimaleate (USAN) <JP/US>New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D09733New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D09733New drug approvals in Japan [br08318.html] Drugs with new active ingredients D09733New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D09733Drug metabolizing enzymes and transporters [br08309.html] Drug transporters D09733Pharmacogenomic biomarkers [br08341.html] Somatic variations in targeted cancer therapies D09733Drug groups [BR:br08330] Antineoplastic DG01918 Tyrosine kinase inhibitor DG01917 Receptor tyrosine kinase inhibitor DG03162 EGFR inhibitor DG00717 Afatinib Transporter substrate DG01665 ABCB1 substrate DG00717 Afatinib |
| Other DBs |
PubChem: 124490473ChEBI: 76003LigandBox: D09733 |
| LinkDB |
|
| KCF data |
ATOM 50 1 C2b C 26.0737 -14.3060 2 C2b C 27.4759 -14.3060 3 C6a C 25.3727 -15.5202 4 O6a O 23.9707 -15.5202 5 O6a O 26.0641 -16.7175 6 C6a C 28.1769 -15.5202 7 O6a O 29.5788 -15.5202 8 O6a O 27.4855 -16.7175 9 C8x C 6.5739 -14.4223 10 N5x N 6.5739 -15.8855 11 C8y C 7.8281 -16.5823 12 C8y C 9.0822 -15.8855 13 C8y C 9.0822 -14.4223 14 N5x N 7.8281 -13.7255 15 C8x C 10.2667 -16.5823 16 C8y C 11.4512 -15.8855 17 C8y C 11.4512 -14.4223 18 C8x C 10.2667 -13.7255 19 N1b N 7.8281 -17.9758 20 C8y C 9.0822 -18.6725 21 C8x C 9.0822 -19.9964 22 C8y C 10.2667 -20.6931 23 C8y C 11.4512 -19.9964 24 C8x C 11.4512 -18.6725 25 C8x C 10.2667 -17.9758 26 X F 12.7054 -20.6931 27 X Cl 10.2667 -22.1563 28 N1b N 12.6357 -16.5126 29 C5a C 13.8202 -15.8158 30 C2b C 15.0047 -16.5126 31 O5a O 13.8202 -14.4223 32 C2b C 16.1892 -15.8158 33 C1b C 17.3737 -16.5126 34 N1c N 18.5582 -15.8158 35 C1a C 19.7427 -16.5126 36 C1a C 18.5582 -14.4223 37 O2a O 12.6357 -13.7952 38 C1y C 12.6357 -12.4017 39 C1x C 13.8202 -11.4959 40 C1x C 13.3325 -10.1721 41 O2x O 11.9390 -10.1721 42 C1x C 11.4512 -11.4959 43 C2b C 26.0737 -14.3060 44 C2b C 27.4759 -14.3060 45 C6a C 28.1769 -15.5202 46 O6a O 29.5788 -15.5202 47 O6a O 27.4855 -16.7175 48 C6a C 25.3727 -15.5202 49 O6a O 23.9707 -15.5202 50 O6a O 26.0641 -16.7175BOND 51 1 9 10 1 2 10 11 2 3 11 12 1 4 12 13 1 5 13 14 1 6 9 14 2 7 12 15 2 8 15 16 1 9 16 17 2 10 17 18 1 11 13 18 2 12 11 19 1 13 19 20 1 14 20 21 2 15 21 22 1 16 22 23 2 17 23 24 1 18 24 25 2 19 20 25 1 20 23 26 1 21 22 27 1 22 16 28 1 23 28 29 1 24 29 30 1 25 29 31 2 26 30 32 2 27 32 33 1 28 33 34 1 29 34 35 1 30 34 36 1 31 17 37 1 32 38 37 1 #Down 33 38 39 1 34 39 40 1 35 40 41 1 36 41 42 1 37 38 42 1 38 1 2 2 39 1 3 1 40 3 4 1 41 3 5 2 42 2 6 1 43 6 7 2 44 6 8 1 45 43 44 2 46 43 48 1 47 48 49 1 48 48 50 2 49 44 45 1 50 45 46 2 51 45 47 1BRACKET 1 22.3300 -18.2700 22.3300 -13.3700 1 30.5200 -13.3700 30.5200 -18.2700 1 2 ORIGINAL 1 1 2 6 7 8 3 4 5 REPEAT 1 43 44 45 46 47 48 49 50 |
