| Entry |
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| Name |
Pemetrexed dipotassium heptahydrate;
Axtle (TN) |
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| Product |
|
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| Formula |
C20H19N5O6. 7H2O. 2K
|
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| Exact mass |
629.1349
|
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| Mol weight |
629.70
|
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| Structure |
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| Class |
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| Remark |
| Product (DG00682): | D07472<US> D03828<US> D06503<JP/US> D10596<JP/US> D13147<US> |
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Disease |
Non-squamous non-small cell lung cancer [DS: H00014] Malignant pleural mesothelioma [DS: H00015] |
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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
D13147 Pemetrexed dipotassium heptahydrate <US>
USP drug classification [BR:br08302]
Antineoplastics
Antimetabolites
Pemetrexed
D13147 Pemetrexed dipotassium heptahydrate
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG00682 Pemetrexed
D13147 Pemetrexed dipotassium heptahydrate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dihydrofolate reductase
DHFR
D13147 Pemetrexed dipotassium heptahydrate <US>
Transferases (EC2)
Methyltransferases
TYMS
D13147 Pemetrexed dipotassium heptahydrate <US>
Ligases (EC6)
GART
GART
D13147 Pemetrexed dipotassium heptahydrate <US>
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 40
1 O0 O 29.4700 -19.7400
2 C8x C 15.0500 -16.1700
3 C8y C 15.0500 -14.8400
4 C8x C 16.2400 -14.0700
5 C8x C 17.5000 -14.8400
6 C8y C 17.5000 -16.1700
7 C8x C 16.2400 -16.8700
8 C1b C 13.8600 -14.0700
9 C1b C 12.6000 -14.8400
10 C8y C 11.4800 -14.0700
11 C8y C 10.1500 -13.5800
12 C8y C 10.1500 -12.1800
13 N4x N 11.4800 -11.8300
14 C8x C 12.3200 -12.9500
15 C8y C 8.8900 -14.2800
16 N4x N 7.7700 -13.5100
17 C8y C 7.7700 -12.1100
18 N5x N 8.9600 -11.4100
19 N1a N 6.5800 -11.3400
20 C5a C 18.6900 -16.8700
21 N1b N 19.9500 -16.1700
22 C1c C 21.1400 -16.8700
23 C1b C 22.3300 -16.1700
24 C1b C 23.5900 -16.8700
25 C6a C 24.7800 -16.1700
26 O6a O 25.9700 -16.8700 #-
27 O5a O 18.6900 -18.2700
28 C6a C 21.1400 -18.2700
29 O6a O 22.3300 -18.9700 #-
30 O6a O 19.9500 -18.9700
31 O6a O 24.7800 -14.8400
32 O5x O 8.8900 -15.6800
33 Z K 24.0100 -18.9700 #+
34 Z K 27.5100 -16.8700 #+
35 O0 O 29.4700 -19.7400
36 O0 O 29.4700 -19.7400
37 O0 O 29.4700 -19.7400
38 O0 O 29.4700 -19.7400
39 O0 O 29.4700 -19.7400
40 O0 O 29.4700 -19.7400
BOND 33
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 3 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 10 14 2
15 11 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 12 18 1
20 17 19 1
21 6 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 20 27 2
29 22 28 1 #Up
30 28 29 1
31 28 30 2
32 25 31 2
33 15 32 2
BRACKET 1 27.2300 -20.5800 27.2300 -18.7600
1 30.2400 -18.7600 30.2400 -20.5800
1 7
ORIGINAL 1 1
REPEAT 1 35 36 37 38 39 40
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