| Entry |
|
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| Name |
Pemetrexed disodium (USAN);
Alimta (TN) |
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| Product |
|
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| Generic |
|
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| Formula |
C20H19N5O6. 2Na
|
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| Exact mass |
471.1131
|
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| Mol weight |
471.3743
|
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| Structure |
|
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| Simcomp |
|
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| Class |
|
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| Remark |
| Product (DG00682): | D07472<US> D03828<US> D06503<JP/US> D10596<JP/US> D11352<US> |
|
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| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Target |
|
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| Pathway |
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| Interaction |
|
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| Structure map |
| map07041 | Antineoplastics - antimetabolic agents |
|
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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
D03828 Pemetrexed disodium (USAN) <US>
USP drug classification [BR:br08302]
Antineoplastics
Antimetabolites
Pemetrexed
D03828 Pemetrexed disodium (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG00682 Pemetrexed
D03828 Pemetrexed disodium
Drug classes [BR:br08332]
Antineoplastic
DG02018 Antimetabolite
D03828 Pemetrexed disodium
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dihydrofolate reductase
DHFR
D03828 Pemetrexed disodium (USAN) <US>
Transferases (EC2)
Methyltransferases
TYMS
D03828 Pemetrexed disodium (USAN) <US>
Ligases (EC6)
GART
GART
D03828 Pemetrexed disodium (USAN) <US>
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG00682 Pemetrexed
|
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| Other DBs |
|
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| KCF data |
ATOM 33
1 C8x C 16.9615 -16.7642
2 C8y C 16.9615 -15.3667
3 C8x C 18.1494 -14.5980
4 C8x C 19.4072 -15.3667
5 C8y C 19.4072 -16.7642
6 C8x C 18.1494 -17.4630
7 C1b C 15.7736 -14.5980
8 C1b C 14.5158 -15.3667
9 C8y C 13.3414 -14.6207
10 C8y C 12.0231 -14.1727
11 C8y C 12.0092 -12.7753
12 N4x N 13.3469 -12.3705
13 C8x C 14.1687 -13.4944
14 C8y C 10.7303 -14.8704
15 N4x N 9.6453 -13.9867
16 C8y C 9.6464 -12.6869
17 N5x N 10.8415 -12.0042
18 N1a N 8.4786 -11.9159
19 C5a C 20.5951 -17.4630
20 N1b N 21.8529 -16.7642
21 C1c C 23.0407 -17.4630
22 C1b C 24.2286 -16.7642
23 C1b C 25.4864 -17.4630
24 C6a C 26.6744 -16.7642
25 O6a O 27.8623 -17.4630 #-
26 O5a O 20.5951 -18.8606
27 C6a C 23.0407 -18.8606
28 O6a O 24.2286 -19.5593 #-
29 O6a O 21.8529 -19.5593
30 O6a O 26.6744 -15.3667
31 O5x O 10.6879 -16.2265
32 Z Na 25.9057 -19.5593 #+
33 Z Na 29.3996 -17.4630 #+
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 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
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