| Entry |
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| Name |
Raltitrexed (JAN/USAN/INN);
Tomudex (TN) |
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| Formula |
C21H22N4O6S
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| Exact mass |
458.1260
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| Mol weight |
458.49
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| Structure |
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| Simcomp |
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| Class |
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| Remark |
|
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| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Comment |
AAdvanced colorectal cancer treatment
|
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| 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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| Other map |
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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
L01BA03 Raltitrexed
D01064 Raltitrexed (JAN/USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
D01064 Raltitrexed
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Methyltransferases
TYMS
D01064 Raltitrexed (JAN/USAN/INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 32
1 S2x S 30.1700 -18.9000
2 C8y C 31.2900 -19.7400
3 C8x C 30.8700 -21.0700
4 C8x C 29.4700 -21.0700
5 C8y C 28.9800 -19.7400
6 N1c N 27.7900 -19.0400
7 C1b C 26.6000 -19.7400
8 C1a C 27.7900 -17.6400
9 C8y C 25.4100 -19.0400
10 C8x C 24.1500 -19.7400
11 C8x C 24.1500 -16.9400
12 C8x C 25.4100 -17.6400
13 C8y C 22.9600 -17.6400
14 C8y C 22.9600 -19.0400
15 C8y C 21.7700 -19.7400
16 N4x N 20.5100 -19.0400
17 C8y C 20.5100 -17.6400
18 N5x N 21.7700 -16.9400
19 C1a C 19.3200 -16.9400
20 O5x O 21.7700 -21.1400
21 C5a C 32.4800 -20.4400
22 N1b N 33.6700 -19.7400
23 O5a O 32.4800 -21.8400
24 C1c C 34.9300 -20.4400
25 C1b C 36.1200 -19.7400
26 C6a C 34.9300 -21.8400
27 C1b C 37.3100 -20.4400
28 O6a O 36.1200 -22.5400
29 O6a O 33.6700 -22.5400
30 C6a C 38.5700 -19.8100
31 O6a O 39.7600 -20.5100
32 O6a O 38.5700 -18.4100
BOND 34
1 11 12 2
2 12 9 1
3 1 2 1
4 13 14 2
5 14 15 1
6 15 16 1
7 16 17 1
8 17 18 2
9 18 13 1
10 17 19 1
11 15 20 2
12 3 4 1
13 5 6 1
14 4 5 2
15 6 7 1
16 6 8 1
17 5 1 1
18 7 9 1
19 2 3 2
20 9 10 2
21 10 14 1
22 13 11 1
23 21 22 1
24 21 23 2
25 22 24 1
26 24 25 1
27 24 26 1 #Up
28 25 27 1
29 26 28 1
30 26 29 2
31 27 30 1
32 30 31 1
33 30 32 2
34 21 2 1
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