| Entry |
|
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| Name |
Crizotinib (JAN/USAN/INN);
Xalkori (TN)
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| Product |
|
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| Formula |
C21H22Cl2FN5O
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| Exact mass |
449.1185
|
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| Mol weight |
450.3367
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| Structure |
     |
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| Activity |
Oncology, Treatment for non-small cell lung cancer (NSCLC) [DS: H00014]
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| Remark |
Therapeutic category: ATC code: |
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| Comment |
tyrosine kinase inhibitor
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| Target |
EML4-ALK (anaplastic lymphoma kinase / ALK) inhibitor [HSA: 238] [KO: K05119] |
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| Interaction |
Genomic biomarker: ALK [HSA: 238] positive
CYP inhibition: CYP3A [KO: K07424]
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| Structure map |
| Antineoplastics - protein kinases inhibitors |
|
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| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
429 Miscellaneous
4291 Other Antitumors
D09731 Crizotinib (JAN/USAN/INN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XE Protein kinase inhibitors
L01XE16 Crizotinib
D09731 Crizotinib (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
Cytokine receptors
Receptor tyrosine kinase
RTK class X (LTK receptor family)
anaplastic lymphoma kinase (ALK) [HSA:238] [KO:K05119]
Crizotinib [ATC:L01XE16]
D09731 Crizotinib (JAN/USAN/INN)
Antineoplastics [BR:br08308]
Molecularly targeted agents
Receptor tyrosine kinase inhibitors
Crizotinib [ATC:L01XE16]
D09731 Crizotinib (JAN/USAN/INN)
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| Other DBs |
CAS: 877399-52-5 PubChem: PDB-CCD: LigandBox: |
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| KCF data |
ATOM 30
1 C8x C 15.1200 -18.3400
2 C8y C 15.1200 -19.7400
3 C8x C 16.3100 -20.4400
4 C8y C 17.5700 -19.7400
5 C8y C 17.5700 -18.3400
6 N5x N 16.3100 -17.6400
7 N1a N 18.7600 -17.6400
8 O2a O 18.7600 -20.4400
9 C1c C 19.9500 -19.7400
10 C8y C 21.1400 -20.4400
11 C8y C 21.1400 -21.8400
12 C8x C 22.4000 -22.5400
13 C8x C 23.5900 -21.8400
14 C8y C 23.5900 -20.4400
15 C8y C 22.4000 -19.7400
16 X Cl 22.4000 -18.3400
17 X F 24.7800 -19.7400
18 X Cl 19.9500 -22.5400
19 C1a C 19.9500 -18.3400
20 C8y C 13.9300 -20.4400
21 C8x C 12.8100 -19.6700
22 N5x N 11.6900 -20.4400
23 N4y N 12.1100 -21.7700
24 C8x C 13.5100 -21.7700
25 C1y C 10.9200 -22.4700
26 C1x C 9.7300 -21.7700
27 C1x C 8.4700 -22.4700
28 N1x N 8.4700 -23.8700
29 C1x C 9.6600 -24.5700
30 C1x C 10.9200 -23.8700
BOND 33
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 4 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 15 16 1
18 14 17 1
19 11 18 1
20 9 19 1 #Down
21 2 20 1
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 1
26 20 24 2
27 23 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 25 30 1
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