| Entry |
|
|---|
| Name |
Brequinar sodium (USAN) |
|---|
| Formula |
C23H14F2NO2. Na
|
|---|
| Exact mass |
397.0890
|
|---|
| Mol weight |
397.35
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
DHODH
D03154 Brequinar sodium (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 18.9697 -14.2787
2 C8x C 18.9697 -15.6786
3 C8x C 20.1820 -16.3786
4 C8y C 21.3945 -15.6786
5 C8y C 21.3945 -14.2787
6 C8x C 20.1820 -13.5788
7 N5x N 22.6068 -16.3786
8 C8y C 23.8191 -15.6786
9 C8y C 23.8191 -14.2787
10 C8y C 22.6068 -13.5788
11 C1a C 25.0166 -13.5873
12 C6a C 22.6068 -12.1789
13 O6a O 23.8212 -11.4777 #-
14 O6a O 21.3965 -11.4801
15 X F 17.7574 -13.5788
16 C8y C 25.0166 -16.3701
17 C8x C 25.0166 -17.7782
18 C8x C 26.2291 -18.4782
19 C8y C 27.4414 -17.7781
20 C8x C 27.4413 -16.3701
21 C8x C 26.2290 -15.6701
22 C8y C 28.6523 -18.4772
23 C8y C 28.6523 -19.8782
24 C8x C 29.8647 -20.5781
25 C8x C 31.0771 -19.8781
26 C8x C 31.0770 -18.4771
27 C8x C 29.8646 -17.7772
28 X F 27.4226 -20.5884
29 Z Na 26.0394 -11.5490 #+
BOND 31
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 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 10 12 1
14 12 13 1
15 12 14 2
16 1 15 1
17 8 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 19 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 22 27 1
31 23 28 1
|
|---|
