| Entry |
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| Name |
Pemetrexed sodium hemipentahydrate (JAN);
Pemetrexed disodium hemipentahydrate;
Pemetrexed accord (TN) |
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| Formula |
(C20H19N5O6. 2Na)2. 5H2O
|
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| Exact mass |
1032.279
|
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| Mol weight |
1032.825
|
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| Structure |
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| Class |
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| Remark |
| Therapeutic category: | 4229 |
| Product (DG00682): | D07472<US> D06503<JP/US> D10596<JP> |
|
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| Efficacy |
Antineoplastic, Antimetabolite |
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| 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
L01B ANTIMETABOLITES
L01BA Folic acid analogues
L01BA04 Pemetrexed
D10596 Pemetrexed sodium hemipentahydrate (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
422 Antimetabolites
4229 Others
D10596 Pemetrexed sodium hemipentahydrate (JAN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG00682 Pemetrexed
D10596 Pemetrexed sodium hemipentahydrate
Drug classes [BR:br08332]
Antineoplastic
DG02018 Antimetabolite
D10596 Pemetrexed sodium hemipentahydrate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dihydrofolate reductase
DHFR
D10596 Pemetrexed sodium hemipentahydrate (JAN) <JP>
Transferases (EC2)
Methyltransferases
TYMS
D10596 Pemetrexed sodium hemipentahydrate (JAN) <JP>
Ligases (EC6)
GART
GART
D10596 Pemetrexed sodium hemipentahydrate (JAN) <JP>
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D10596
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG00682 Pemetrexed
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 71
1 C8x C 16.8000 -15.1900
2 C8y C 16.8000 -13.8600
3 C8x C 17.9900 -13.0900
4 C8x C 19.2500 -13.8600
5 C8y C 19.2500 -15.1900
6 C8x C 17.9900 -15.8900
7 C1b C 15.6100 -13.0900
8 C1b C 14.3500 -13.8600
9 C8y C 13.1600 -13.0900
10 C8y C 11.8339 -12.6580
11 C8y C 11.8021 -11.2583
12 N4x N 13.1369 -10.8359
13 C8x C 13.9744 -11.9512
14 C8y C 10.6178 -13.3733
15 N4x N 9.5490 -12.5589
16 C8y C 9.4911 -11.2407
17 N5x N 10.6634 -10.4439
18 N1a N 8.3524 -10.4263
19 C5a C 20.4400 -15.8900
20 N1b N 21.7000 -15.1900
21 C1c C 22.8900 -15.8900
22 C1b C 24.0800 -15.1900
23 C1b C 25.3400 -15.8900
24 C6a C 26.5300 -15.1900
25 O6a O 27.7200 -15.8900 #-
26 O5a O 20.4400 -17.2900
27 C6a C 22.8900 -17.2900
28 O6a O 24.0800 -17.9900 #-
29 O6a O 21.7000 -17.9900
30 O6a O 26.5300 -13.8600
31 O5x O 10.6333 -14.6753
32 Z Na 25.7600 -17.9900 #+
33 Z Na 29.2600 -15.8900 #+
34 O0 O 23.7300 -22.6100
35 C8x C 16.8000 -15.1900
36 C8y C 16.8000 -13.8600
37 C8x C 17.9900 -13.0900
38 C8x C 19.2500 -13.8600
39 C8y C 19.2500 -15.1900
40 C8x C 17.9900 -15.8900
41 C5a C 20.4400 -15.8900
42 N1b N 21.7000 -15.1900
43 C1c C 22.8900 -15.8900
44 C1b C 24.0800 -15.1900
45 C1b C 25.3400 -15.8900
46 C6a C 26.5300 -15.1900
47 O6a O 27.7200 -15.8900 #-
48 O6a O 26.5300 -13.8600
49 C6a C 22.8900 -17.2900
50 O6a O 24.0800 -17.9900 #-
51 O6a O 21.7000 -17.9900
52 O5a O 20.4400 -17.2900
53 C1b C 15.6100 -13.0900
54 C1b C 14.3500 -13.8600
55 C8y C 13.1600 -13.0900
56 C8y C 11.8339 -12.6580
57 C8y C 11.8021 -11.2583
58 N4x N 13.1369 -10.8359
59 C8x C 13.9744 -11.9512
60 N5x N 10.6634 -10.4439
61 C8y C 9.4911 -11.2407
62 N4x N 9.5490 -12.5589
63 C8y C 10.6178 -13.3733
64 O5x O 10.6333 -14.6753
65 N1a N 8.3524 -10.4263
66 Z Na 25.7600 -17.9900 #+
67 Z Na 29.2600 -15.8900 #+
68 O0 O 23.7300 -22.6100
69 O0 O 23.7300 -22.6100
70 O0 O 23.7300 -22.6100
71 O0 O 23.7300 -22.6100
BOND 66
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 2
12 11 12 1
13 12 13 1
14 9 13 2
15 10 14 1
16 14 15 1
17 15 16 1
18 16 17 2
19 11 17 1
20 16 18 1
21 5 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 19 26 2
29 21 27 1 #Up
30 27 28 1
31 27 29 2
32 24 30 2
33 14 31 2
34 35 36 2
35 36 37 1
36 37 38 2
37 38 39 1
38 39 40 2
39 35 40 1
40 36 53 1
41 53 54 1
42 54 55 1
43 55 56 1
44 56 57 2
45 57 58 1
46 58 59 1
47 55 59 2
48 56 63 1
49 63 62 1
50 62 61 1
51 61 60 2
52 57 60 1
53 61 65 1
54 39 41 1
55 41 42 1
56 42 43 1
57 43 44 1
58 44 45 1
59 45 46 1
60 46 47 1
61 41 52 2
62 43 49 1 #Up
63 49 50 1
64 49 51 2
65 46 48 2
66 63 64 2
BRACKET 1 5.8800 -19.1800 5.8800 -8.8900
1 31.0800 -8.8900 31.0800 -19.1800
1 2
ORIGINAL 1 1 2 3 4 5 6 19 20 21 22 23 24 25 30 27 28
1 29 26 7 8 9 10 11 12 13 17 16 15 14 31 18 32
1 33
REPEAT 1 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50
1 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66
1 67
2 21.2800 -23.5200 21.2800 -21.3500
2 24.7100 -21.3500 24.7100 -23.5200
2 5
ORIGINAL 2 34
REPEAT 2 68 69 70 71
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