| Entry |
|
|---|
| Name |
Gilteritinib (USAN/INN) |
|---|
| Formula |
C29H44N8O3
|
|---|
| Exact mass |
552.3536
|
|---|
| Mol weight |
552.71
|
|---|
| 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 |
| Product (DG01948): | D10800<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| 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
D10709 Gilteritinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG01948 Gilteritinib
D10709 Gilteritinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01948 Gilteritinib
D10709 Gilteritinib
Transporter substrate
DG01665 ABCB1 substrate
DG01948 Gilteritinib
D10709 Gilteritinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
PDGFR family
FLT3 (CD135)
D10709 Gilteritinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10709
Drug transporters
D10709
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG01948 Gilteritinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01948 Gilteritinib
Transporter substrate
DG01665 ABCB1 substrate
DG01948 Gilteritinib
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 40
1 C1x C 14.3460 -16.5117
2 C1y C 14.3460 -17.9110
3 C1x C 15.5355 -18.6107
4 C1x C 16.7949 -17.9110
5 N1y N 16.7949 -16.5117
6 C1x C 15.5355 -15.8120
7 C8y C 17.9843 -15.8120
8 C8x C 19.1738 -16.5117
9 C8x C 20.4332 -15.8120
10 C8y C 20.4332 -14.4127
11 C8x C 19.2437 -13.7130
12 C8y C 17.9843 -14.4127
13 N1b N 21.6450 -13.7130
14 C8y C 22.8570 -14.4127
15 N5x N 22.8570 -15.8118
16 C8y C 24.0688 -16.5115
17 C8y C 25.2806 -15.8118
18 N5x N 25.2806 -14.4127
19 C8y C 24.0688 -13.7130
20 O2a O 16.7725 -13.7130
21 C1a C 15.5606 -14.4127
22 N1y N 13.1342 -18.6107
23 C1x C 11.9392 -17.9206
24 C1x C 10.7273 -18.6202
25 N1y N 10.7271 -20.0196
26 C1x C 11.9221 -20.7096
27 C1x C 13.1340 -20.0101
28 C1a C 9.5153 -20.7192
29 N1b N 24.0688 -17.9108
30 C1y C 25.2807 -18.6105
31 C1x C 26.4926 -17.9108
32 C1x C 25.2807 -20.0099
33 C1x C 26.4927 -20.7095
34 O2x O 27.7045 -20.0099
35 C1x C 27.7044 -18.6105
36 C5a C 24.0688 -12.3137
37 O5a O 22.8570 -11.6140
38 N1a N 25.2806 -11.6140
39 C1b C 26.4925 -16.5115
40 C1a C 27.7044 -15.8118
BOND 44
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 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 10 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 12 20 1
23 20 21 1
24 2 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 25 28 1
32 16 29 1
33 29 30 1
34 30 31 1
35 30 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 31 35 1
40 19 36 1
41 36 37 2
42 36 38 1
43 17 39 1
44 39 40 1
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