| Entry |
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| Name |
Olmutinib hydrochloride (USAN) |
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| Formula |
C26H26N6O2S. 2HCl
|
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| Exact mass |
558.1372
|
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| Mol weight |
559.51
|
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| Structure |
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| Simcomp |
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| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
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| Pathway |
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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
L01EB06 Olmutinib
D11115 Olmutinib hydrochloride (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG02916 Olmutinib
D11115 Olmutinib hydrochloride
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR
D11115 Olmutinib hydrochloride (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG02916 Olmutinib
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 C8x C 23.4538 -13.3722
2 C8y C 23.4538 -14.7724
3 C8x C 22.2636 -15.4725
4 C8x C 21.0034 -14.7724
5 C8y C 21.0034 -13.3722
6 C8x C 22.2636 -12.6721
7 N1y N 24.6440 -15.4725
8 C1x C 25.8342 -14.7724
9 C1x C 27.0944 -15.4725
10 N1y N 27.0944 -16.8728
11 C1x C 25.9042 -17.5729
12 C1x C 24.6440 -16.8728
13 C1a C 28.2846 -17.5729
14 N1b N 19.8132 -12.6721
15 C8y C 18.6231 -13.3722
16 N5x N 18.6231 -14.7724
17 C8y C 17.3628 -15.4725
18 C8y C 16.1726 -14.7724
19 C8y C 16.1726 -13.3722
20 N5x N 17.3628 -12.6721
21 S2x S 14.8424 -15.1925
22 C8x C 14.0023 -14.0723
23 C8x C 14.8424 -12.9521
24 O2a O 17.3628 -16.8728
25 C8y C 16.1726 -17.5729
26 C8x C 16.1726 -18.9731
27 C8x C 14.9124 -19.6732
28 C8x C 13.7222 -18.9731
29 C8y C 13.7222 -17.5729
30 C8x C 14.9124 -16.8728
31 N1b N 12.5321 -16.8728
32 C5a C 11.3419 -17.5729
33 C2b C 10.1517 -16.8728
34 C2a C 8.9615 -17.5729
35 O5a O 11.3419 -18.9731
36 X Cl 22.0500 -19.7400
37 X Cl 22.0500 -19.7400
BOND 39
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 2 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 5 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 18 21 1
24 21 22 1
25 22 23 2
26 19 23 1
27 17 24 1
28 24 25 1
29 25 26 2
30 26 27 1
31 27 28 2
32 28 29 1
33 29 30 2
34 25 30 1
35 29 31 1
36 31 32 1
37 32 33 1
38 33 34 2
39 32 35 2
BRACKET 1 20.3000 -20.5100 20.3000 -18.9700
1 23.2400 -18.9700 23.2400 -20.5100
1 2
ORIGINAL 1 36
REPEAT 1 37
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