| Entry |
|
|---|
| Name |
Alectinib (USAN/INN) |
|---|
| Formula |
C30H34N4O2
|
|---|
| Exact mass |
482.2682
|
|---|
| Mol weight |
482.62
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03136 ALK inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG01625): | D10450<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Anaplastic lymphoma kinase (ALK) inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01ED Anaplastic lymphoma kinase (ALK) inhibitors
L01ED03 Alectinib
D10542 Alectinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03136 ALK inhibitor
DG01625 Alectinib
D10542 Alectinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01625 Alectinib
D10542 Alectinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
ALK family
ALK (CD246)
D10542 Alectinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10542
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03136 ALK inhibitor
DG01625 Alectinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01625 Alectinib
|
|---|
| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 36
1 C1x C 11.5500 -18.8300
2 O2x O 11.5500 -20.2300
3 C1x C 12.7400 -20.9300
4 C1x C 14.0000 -20.2300
5 N1y N 14.0000 -18.8300
6 C1x C 12.7400 -18.1300
7 C1y C 15.1900 -18.1300
8 C1x C 16.4500 -18.8300
9 C1x C 17.6400 -18.1300
10 N1y N 17.6400 -16.7300
11 C1x C 16.4500 -16.0300
12 C1x C 15.1900 -16.7300
13 C8y C 18.8300 -16.0300
14 C8x C 20.0900 -16.7300
15 C8y C 21.2800 -16.0300
16 C8y C 21.2800 -14.6300
17 C8x C 20.0900 -13.9300
18 C8y C 18.8300 -14.6300
19 C1b C 17.6400 -13.9300
20 C1a C 16.4500 -14.6300
21 C1z C 22.4700 -16.7300
22 C8y C 23.7300 -16.0300
23 C8y C 23.7300 -14.6300
24 C5x C 22.4700 -13.9300
25 N4x N 25.0600 -16.4500
26 C8y C 25.8300 -15.3300
27 C8y C 25.0600 -14.2100
28 C8x C 27.2300 -15.1900
29 C8y C 27.7900 -13.8600
30 C8x C 27.0200 -12.7400
31 C8x C 25.6200 -12.8800
32 C3b C 29.1900 -13.7200
33 N3a N 30.5200 -13.5800
34 O5x O 22.4700 -12.5300
35 C1a C 23.1700 -17.9900
36 C1a C 21.7700 -17.9200
BOND 41
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 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 10 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 18 19 1
22 19 20 1
23 15 21 1
24 21 22 1
25 22 23 2
26 23 24 1
27 16 24 1
28 22 25 1
29 25 26 1
30 26 27 1
31 23 27 1
32 26 28 2
33 28 29 1
34 29 30 2
35 30 31 1
36 27 31 2
37 29 32 1
38 32 33 3
39 24 34 2
40 21 35 1
41 21 36 1
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