| Entry |
|
|---|
| Name |
Plevitrexed (INN) |
|---|
| Formula |
C26H25FN8O4
|
|---|
| Exact mass |
532.1983
|
|---|
| Mol weight |
532.53
|
|---|
| Structure |
|
|---|
| Class |
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Other map |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
D10803 Plevitrexed
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Methyltransferases
TYMS
D10803 Plevitrexed (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
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|---|
| KCF data |
ATOM 39
1 C8y C 16.2400 -15.7500
2 C8y C 16.2400 -17.1500
3 C8x C 15.0500 -17.8500
4 C8y C 13.7900 -17.1500
5 C8y C 13.7900 -15.7500
6 C8x C 15.0500 -15.0500
7 C8y C 12.6000 -17.8500
8 N5x N 11.4100 -17.1500
9 C8y C 11.4100 -15.7500
10 N4x N 12.6000 -15.0500
11 C1a C 10.2200 -15.0500
12 O5x O 12.6000 -19.2500
13 C1a C 17.4300 -15.0500
14 C1b C 17.4300 -17.8500
15 N1c N 18.6200 -17.1500
16 C8y C 19.8100 -17.8500
17 C1b C 18.6200 -15.7500
18 C3b C 19.8100 -15.0500
19 C3a C 21.0700 -14.3500
20 C8x C 21.0000 -17.1500
21 C8x C 22.2600 -17.8500
22 C8y C 22.2600 -19.2500
23 C8y C 21.0700 -19.9500
24 C8x C 19.8100 -19.2500
25 X F 21.0700 -21.3500
26 C5a C 23.4500 -19.9500
27 N1b N 24.6400 -19.2500
28 O5a O 23.4500 -21.3500
29 C1c C 25.8300 -19.9500
30 C1b C 27.0200 -19.2500
31 C6a C 25.8300 -21.3500
32 O6a O 27.0200 -22.0500
33 O6a O 24.6400 -22.0500
34 C1b C 28.2100 -19.9500
35 C8y C 29.4000 -19.2500
36 N4x N 29.4066 -17.8430
37 N5x N 30.7738 -17.4316
38 N5x N 31.5835 -18.5498
39 N5x N 30.7771 -19.6814
BOND 42
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 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 9 11 1
13 7 12 2
14 1 13 1
15 2 14 1
16 14 15 1
17 15 16 1
18 15 17 1
19 17 18 1
20 18 19 3
21 16 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 16 24 1
27 23 25 1
28 22 26 1
29 26 27 1
30 26 28 2
31 27 29 1
32 29 30 1
33 29 31 1 #Up
34 31 32 1
35 31 33 2
36 30 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 2
41 38 39 1
42 35 39 2
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|---|
