| Entry |
|
|---|
| Name |
Mobocertinib (USAN/INN) |
|---|
| Product |
|
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| Formula |
C32H39N7O4
|
|---|
| Exact mass |
585.3064
|
|---|
| Mol weight |
585.70
|
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| Structure |
|
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| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
|
|---|
| Remark |
| Product (DG03148): | D12001<US> |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| 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
L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
L01EB10 Mobocertinib
D12001 Mobocertinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03148 Mobocertinib
D12001 Mobocertinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG03148 Mobocertinib
D12001 Mobocertinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR
D12001 Mobocertinib (USAN/INN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12001
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03148 Mobocertinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG03148 Mobocertinib
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 43
1 C8y C 19.3071 -20.0748
2 C8y C 20.5662 -19.3753
3 C8x C 20.5662 -17.9764
4 C8y C 19.3771 -17.2769
5 C8y C 18.1180 -17.9764
6 C8x C 18.1180 -19.3753
7 N1b N 16.9289 -17.2769
8 C8y C 16.9289 -15.8780
9 N5x N 18.1880 -15.1785
10 C8x C 18.1880 -13.7796
11 C8y C 16.9289 -13.0801
12 C8y C 15.7398 -13.7796
13 N5x N 15.7398 -15.1785
14 C8y C 14.5507 -13.0801
15 O2a O 19.3771 -15.8780
16 C1a C 20.5662 -15.1785
17 C8x C 14.2709 -11.6812
18 N4y N 12.8720 -11.5413
19 C8y C 12.3124 -12.8003
20 C8y C 13.2917 -13.7096
21 C8x C 10.9834 -13.2200
22 C8x C 10.6337 -14.5490
23 C8x C 11.6829 -15.5282
24 C8x C 13.0119 -15.1086
25 C1a C 12.1725 -10.2822
26 N1c N 21.7553 -20.0748
27 C1a C 21.7553 -21.4737
28 C1b C 22.9444 -19.4453
29 N1b N 19.3071 -21.4737
30 C5a C 18.1180 -22.1732
31 C2b C 16.8590 -21.4737
32 O5a O 18.1180 -23.5722
33 C1b C 24.2034 -20.1447
34 N1c N 25.3925 -19.4453
35 C1a C 26.5816 -20.1447
36 C1a C 25.3925 -18.0463
37 C2a C 15.6699 -22.1732
38 C7a C 16.9289 -11.6812
39 O7a O 15.7398 -10.9117
40 O6a O 18.1180 -10.9117
41 C1c C 15.7398 -9.5128
42 C1a C 14.4808 -8.8133
43 C1a C 16.9289 -8.8133
BOND 46
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 12 14 1
16 4 15 1
17 15 16 1
18 14 17 2
19 17 18 1
20 18 19 1
21 19 20 2
22 14 20 1
23 19 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 20 24 1
28 18 25 1
29 2 26 1
30 26 27 1
31 26 28 1
32 1 29 1
33 29 30 1
34 30 31 1
35 30 32 2
36 28 33 1
37 33 34 1
38 34 35 1
39 34 36 1
40 31 37 2
41 11 38 1
42 38 39 1
43 38 40 2
44 39 41 1
45 41 42 1
46 41 43 1
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