| Entry |
|
|---|
| Name |
Menogaril (USAN/INN) |
|---|
| Formula |
C28H31NO10
|
|---|
| Exact mass |
541.1948
|
|---|
| Mol weight |
541.5464
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Topoisomerase II inhibitor |
|---|
| Comment |
Anthracyclines
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D04914 Menogaril (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C8y C 45.0636 -28.3807
2 C8y C 45.0636 -29.7187
3 C8x C 43.7960 -27.6765
4 C1x C 46.2608 -27.6765
5 C1y C 46.2608 -30.4229
6 C8y C 43.8665 -30.4229
7 C8y C 42.5988 -28.3807
8 C1z C 47.4580 -28.3103
9 C1x C 47.4580 -29.7187
10 C8y C 42.5988 -29.7187
11 O1a O 43.8665 -31.7610
12 C5x C 41.4016 -27.6765
13 O1a O 48.1622 -27.1131
14 C5x C 41.4016 -30.4229
15 C8y C 40.2044 -28.3807
16 O5x O 41.4016 -26.3385
17 C8y C 40.2044 -29.7187
18 O5x O 41.4016 -31.7610
19 C8y C 39.0072 -30.4229
20 C8y C 37.8805 -28.3807
21 C8x C 37.8805 -29.7187
22 O1a O 39.0072 -31.8314
23 O2a O 46.2608 -31.8314
24 C1a C 47.4580 -32.5356
25 C1a C 48.7960 -28.6624
26 C8y C 39.0072 -27.6765
27 O2x O 38.9580 -26.2690
28 C1y C 37.7143 -25.6078
29 O2x O 36.5876 -26.3120
30 C1z C 36.6368 -27.7196
31 C1y C 36.5018 -24.9078
32 C1y C 35.4243 -27.0196
33 C1y C 35.4243 -25.6196
34 C1a C 36.6368 -29.1196
35 N1c N 34.1882 -24.9547
36 O1a O 36.4598 -23.5200
37 O1a O 34.2085 -27.7216
38 C1a C 32.9932 -25.6936
39 C1a C 34.1456 -23.5201
BOND 44
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 6 11 1
11 7 12 1
12 8 13 1 #Up
13 10 14 1
14 12 15 1
15 12 16 2
16 14 17 1
17 14 18 2
18 17 19 1
19 19 21 2
20 7 10 2
21 8 9 1
22 15 17 2
23 20 21 1
24 19 22 1
25 5 23 1 #Up
26 23 24 1
27 8 25 1 #Down
28 15 26 1
29 20 26 2
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 20 30 1
35 28 31 1
36 30 32 1
37 32 33 1
38 33 31 1
39 30 34 1 #Up
40 33 35 1 #Up
41 31 36 1 #Down
42 32 37 1 #Down
43 35 38 1
44 35 39 1
|
|---|
