| Entry |
|
|---|
| Name |
Gilteritinib fumarate (JAN/USAN);
Xospata (TN) |
|---|
| Product |
|
|---|
| Formula |
(C29H44N8O3)2. C4H4O4
|
|---|
| Exact mass |
1220.7182
|
|---|
| Mol weight |
1221.4951
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
|
|---|
| Remark |
| Therapeutic category: | 4291 |
| Product (DG01948): | D10800<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
|---|
| Disease |
Acute myeloid leukemia (FLT3 mutation-positive) [DS: H00003] |
|---|
| Comment |
Treatment of acute myeloid leukemia
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
|
|---|
| 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
L01EX13 Gilteritinib
D10800 Gilteritinib fumarate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Gilteritinib
D10800 Gilteritinib fumarate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
429 Miscellaneous
4291 Other Antitumors
D10800 Gilteritinib fumarate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
PDGFR family
FLT3* (CD135) [HSA_VAR:2322v1 2322v2]
D10800 Gilteritinib fumarate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D10800
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D10800
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D10800
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10800
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10800
Drug transporters
D10800
Pharmacogenomic biomarkers [br08341.html]
Somatic variations in targeted cancer therapies
D10800
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 88
1 C1x C 14.3388 -16.5071
2 C1y C 14.3388 -17.9060
3 C1x C 15.5278 -18.6054
4 C1x C 16.7869 -17.9060
5 N1y N 16.7869 -16.5071
6 C1x C 15.5278 -15.8076
7 C8y C 17.9759 -15.8076
8 C8x C 19.1650 -16.5071
9 C8x C 20.4240 -15.8076
10 C8y C 20.4240 -14.4087
11 C8x C 19.2349 -13.7093
12 C8y C 17.9759 -14.4087
13 N1b N 21.6131 -13.7093
14 C8y C 22.8721 -14.4087
15 N5x N 22.8721 -15.8076
16 C8y C 24.0612 -16.5071
17 C8y C 25.2502 -15.8076
18 N5x N 25.2502 -14.4087
19 C8y C 24.0612 -13.7093
20 O2a O 16.7869 -13.7093
21 C1a C 15.5278 -14.4087
22 N1y N 13.1497 -18.6054
23 C1x C 11.9606 -17.9060
24 C1x C 10.7016 -18.6054
25 N1y N 10.7016 -20.0043
26 C1x C 11.8907 -20.7038
27 C1x C 13.1497 -20.0043
28 C1a C 9.5126 -20.7038
29 N1b N 24.0612 -17.9060
30 C1y C 25.2502 -18.6054
31 C1x C 26.4393 -17.9060
32 C1x C 25.2502 -20.0043
33 C1x C 26.4393 -20.7038
34 O2x O 27.6983 -20.0043
35 C1x C 27.6983 -18.6054
36 C5a C 24.0612 -12.3104
37 O5a O 22.8721 -11.6109
38 N1a N 25.2502 -11.6109
39 C1b C 26.4393 -16.5071
40 C1a C 27.6983 -15.8076
41 C6a C 34.9300 -16.1700
42 C2b C 36.1424 -16.8700
43 O6a O 33.7176 -16.8700
44 O6a O 34.9300 -14.7700
45 C2b C 37.3379 -16.1796
46 C6a C 38.5253 -16.8651
47 O6a O 39.7165 -16.1771
48 O6a O 38.5255 -18.2698
49 C1x C 14.3388 -16.5071
50 C1y C 14.3388 -17.9060
51 C1x C 15.5278 -18.6054
52 C1x C 16.7869 -17.9060
53 N1y N 16.7869 -16.5071
54 C1x C 15.5278 -15.8076
55 C8y C 17.9759 -15.8076
56 C8x C 19.1650 -16.5071
57 C8x C 20.4240 -15.8076
58 C8y C 20.4240 -14.4087
59 C8x C 19.2349 -13.7093
60 C8y C 17.9759 -14.4087
61 O2a O 16.7869 -13.7093
62 C1a C 15.5278 -14.4087
63 N1b N 21.6131 -13.7093
64 C8y C 22.8721 -14.4087
65 N5x N 22.8721 -15.8076
66 C8y C 24.0612 -16.5071
67 C8y C 25.2502 -15.8076
68 N5x N 25.2502 -14.4087
69 C8y C 24.0612 -13.7093
70 C5a C 24.0612 -12.3104
71 O5a O 22.8721 -11.6109
72 N1a N 25.2502 -11.6109
73 C1b C 26.4393 -16.5071
74 C1a C 27.6983 -15.8076
75 N1b N 24.0612 -17.9060
76 C1y C 25.2502 -18.6054
77 C1x C 26.4393 -17.9060
78 C1x C 27.6983 -18.6054
79 O2x O 27.6983 -20.0043
80 C1x C 26.4393 -20.7038
81 C1x C 25.2502 -20.0043
82 N1y N 13.1497 -18.6054
83 C1x C 11.9606 -17.9060
84 C1x C 10.7016 -18.6054
85 N1y N 10.7016 -20.0043
86 C1x C 11.8907 -20.7038
87 C1x C 13.1497 -20.0043
88 C1a C 9.5126 -20.7038
BOND 95
1 41 42 1
2 41 43 1
3 41 44 2
4 42 45 2
5 45 46 1
6 46 47 1
7 46 48 2
8 1 2 1
9 2 3 1
10 3 4 1
11 4 5 1
12 5 6 1
13 1 6 1
14 5 7 1
15 7 8 2
16 8 9 1
17 9 10 2
18 10 11 1
19 11 12 2
20 7 12 1
21 10 13 1
22 13 14 1
23 14 15 2
24 15 16 1
25 16 17 2
26 17 18 1
27 18 19 2
28 14 19 1
29 12 20 1
30 20 21 1
31 2 22 1
32 22 23 1
33 23 24 1
34 24 25 1
35 25 26 1
36 26 27 1
37 22 27 1
38 25 28 1
39 16 29 1
40 29 30 1
41 30 31 1
42 30 32 1
43 32 33 1
44 33 34 1
45 34 35 1
46 31 35 1
47 19 36 1
48 36 37 2
49 36 38 1
50 17 39 1
51 39 40 1
52 49 50 1
53 50 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 49 54 1
58 53 55 1
59 55 56 2
60 56 57 1
61 57 58 2
62 58 59 1
63 59 60 2
64 55 60 1
65 58 63 1
66 63 64 1
67 64 65 2
68 65 66 1
69 66 67 2
70 67 68 1
71 68 69 2
72 64 69 1
73 60 61 1
74 61 62 1
75 50 82 1
76 82 83 1
77 83 84 1
78 84 85 1
79 85 86 1
80 86 87 1
81 82 87 1
82 85 88 1
83 66 75 1
84 75 76 1
85 76 77 1
86 76 81 1
87 81 80 1
88 80 79 1
89 79 78 1
90 77 78 1
91 69 70 1
92 70 71 2
93 70 72 1
94 67 73 1
95 73 74 1
BRACKET 1 6.4400 -22.4000 6.4400 -9.8700
1 29.8200 -9.8700 29.8200 -22.4000
1 2
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 20 21 13 14
1 15 16 17 18 19 36 37 38 39 40 29 30 31 35 34 33
1 32 22 23 24 25 26 27 28
REPEAT 1 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64
1 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80
1 81 82 83 84 85 86 87 88
|
|---|
