| Entry |
|
|---|
| Name |
Larotrectinib (USAN/INN) |
|---|
| Formula |
C21H22F2N6O2
|
|---|
| Exact mass |
428.1772
|
|---|
| Mol weight |
428.43
|
|---|
| Structure |
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| Simcomp |
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| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
|
|---|
| Remark |
| Product (DG02923): | D11138<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Tropomyosin receptor kinase inhibitor |
|---|
| Comment |
Treatment of TRK positive tumors
|
|---|
| Target |
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| Pathway |
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| Metabolism |
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| Interaction |
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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
L01EX12 Larotrectinib
D11137 Larotrectinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02923 Larotrectinib
D11137 Larotrectinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02923 Larotrectinib
D11137 Larotrectinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
TRK family
NTRK
D11137 Larotrectinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D11137
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG02923 Larotrectinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02923 Larotrectinib
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 31
1 C8x C 12.1100 -15.3300
2 C8y C 12.1100 -16.7300
3 N5x N 13.3224 -17.4300
4 C8y C 14.5349 -16.7300
5 N4y N 14.5349 -15.3300
6 C8x C 13.3224 -14.6300
7 C8y C 15.8664 -17.1626
8 C8x C 16.6893 -16.0300
9 N5x N 15.8664 -14.8974
10 N1b N 16.2975 -18.4894
11 C5a C 17.6975 -18.4894
12 O5a O 18.3966 -19.7001
13 N1y N 18.4080 -17.2640
14 C1x C 19.8100 -17.2996
15 C1x C 20.2771 -15.9772
16 C1y C 19.1638 -15.1244
17 C1x C 18.0086 -15.9196
18 O1a O 19.1992 -13.7326
19 N1y N 10.8976 -17.4300
20 C1y C 9.6374 -16.8688
21 C1x C 8.7143 -17.8939
22 C1x C 9.4039 -19.0886
23 C1x C 10.7532 -18.8019
24 C8y C 9.3478 -15.5053
25 C8x C 10.3883 -14.5687
26 C8y C 10.0974 -13.1993
27 C8x C 8.7660 -12.7664
28 C8x C 7.7255 -13.7030
29 C8y C 8.0164 -15.0724
30 X F 11.1132 -12.2853
31 X F 7.0057 -15.9824
BOND 35
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 5 9 1
11 7 10 1
12 10 11 1
13 11 12 2
14 11 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 13 17 1
20 16 18 1 #Up
21 2 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 19 23 1
27 20 24 1 #Down
28 24 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 24 29 1
34 26 30 1
35 29 31 1
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