Entry |
|
Name |
Pemetrexed tromethamine (USAN) |
Product |
|
Formula |
C20H21N5O6. (C4H11NO3)2. 2H2O
|
Exact mass |
705.3181
|
Mol weight |
705.7113
|
Structure |

|
Class |
|
Remark |
Product (DG00682): | D07472<US> D03828<US> D06503<JP/US> D10596<JP/US> D11352<US> |
|
Efficacy |
Antineoplastic, Antimetabolite |
Target |
|
Pathway |
|
Interaction |
|
Brite |
USP drug classification [BR:br08302]
Antineoplastics
Antimetabolites
Pemetrexed
D11352 Pemetrexed tromethamine (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG00682 Pemetrexed
D11352 Pemetrexed tromethamine
Drug classes [BR:br08332]
Antineoplastic
DG02018 Antimetabolite
D11352 Pemetrexed tromethamine
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dihydrofolate reductase
DHFR
D11352 Pemetrexed tromethamine (USAN) <US>
Transferases (EC2)
Methyltransferases
TYMS
D11352 Pemetrexed tromethamine (USAN) <US>
Ligases (EC6)
GART
GART
D11352 Pemetrexed tromethamine (USAN) <US>
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG00682 Pemetrexed
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 49
1 C8x C 17.4055 -17.1274
2 C8y C 17.4055 -15.8046
3 C8x C 18.5890 -15.0388
4 C8x C 19.8422 -15.8046
5 C8y C 19.8422 -17.1274
6 C8x C 18.5890 -17.8932
7 C1b C 16.2219 -15.0388
8 C1b C 14.8992 -15.8046
9 C8y C 13.7156 -15.0388
10 C8y C 12.3928 -14.6211
11 C8y C 12.3928 -13.2286
12 N4x N 13.7156 -12.8109
13 C8x C 14.5511 -13.9248
14 C8y C 11.2093 -15.3173
15 N5x N 10.0257 -14.5514
16 C8y C 10.0257 -13.2286
17 N4x N 11.2093 -12.4628
18 N1a N 8.9118 -12.4628
19 C5a C 21.0258 -17.8932
20 N1b N 22.2789 -17.1274
21 C1c C 23.4625 -17.8932
22 C1b C 24.6460 -17.1274
23 C1b C 25.8992 -17.8932
24 C6a C 27.0827 -17.1274
25 O6a O 28.3359 -17.8932
26 O5a O 21.0258 -19.2856
27 C6a C 23.4625 -19.2856
28 O6a O 24.6460 -19.9818
29 O6a O 22.2789 -19.9818
30 O6a O 27.0827 -15.8046
31 O5x O 11.2093 -16.6400
32 C1b C 33.6000 -17.2200
33 C1d C 34.8124 -17.9200
34 O1a O 32.3876 -17.9200
35 C1b C 36.0079 -17.2296
36 O1a O 37.1953 -17.9151
37 C1b C 34.8124 -19.3200
38 N1a N 34.8124 -16.5200
39 O1a O 36.0080 -20.0103
40 O0 O 33.1100 -12.7400
41 O0 O 35.9100 -12.6700
42 C1b C 33.6000 -17.2200
43 C1d C 34.8124 -17.9200
44 C1b C 36.0079 -17.2296
45 O1a O 37.1953 -17.9151
46 C1b C 34.8124 -19.3200
47 O1a O 36.0080 -20.0103
48 N1a N 34.8124 -16.5200
49 O1a O 32.3876 -17.9200
BOND 47
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 2
18 16 17 1
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 32 33 1
35 32 34 1
36 33 35 1
37 35 36 1
38 33 37 1
39 33 38 1
40 37 39 1
41 42 43 1
42 42 49 1
43 43 44 1
44 44 45 1
45 43 46 1
46 43 48 1
47 46 47 1
BRACKET 1 30.8700 -21.0000 30.8700 -15.5400
1 38.5700 -15.5400 38.5700 -21.0000
1 2
ORIGINAL 1 32 33 35 36 37 39 38 34
REPEAT 1 42 43 44 45 46 47 48 49
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