| Entry |
|
|---|
| Name |
Cositecan (USAN);
Karenitecin (TN) |
|---|
| Formula |
C25H28N2O4Si
|
|---|
| Exact mass |
448.1818
|
|---|
| Mol weight |
448.58
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
|
|---|
| Efficacy |
Antineoplastic, Topoisomerase I inhibitor |
|---|
| Comment |
Camptothecin [CPD: C01897] analog
|
|---|
| Target |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
D09327 Cositecan
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D09327 Cositecan (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 32
1 C8x C 18.0285 -22.7067
2 C8x C 18.0285 -24.1109
3 C8x C 19.2220 -24.8129
4 C8y C 20.4156 -24.1109
5 C8y C 20.4156 -22.7067
6 C8x C 19.2220 -22.0046
7 N5x N 21.6793 -24.8129
8 C8y C 22.8728 -24.1109
9 C8y C 22.8728 -22.7067
10 C8y C 21.6793 -22.0046
11 C8y C 24.2067 -24.5321
12 N4y N 25.0492 -23.4088
13 C1x C 24.2067 -22.2855
14 C8y C 26.3832 -23.4088
15 C8y C 27.0852 -24.6023
16 C8y C 26.4534 -25.7958
17 C8x C 24.9790 -25.7958
18 C1z C 27.1554 -26.9893
19 C7x C 28.4894 -26.9893
20 O7x O 29.1212 -25.7958
21 C1x C 28.4192 -24.6023
22 O5x O 27.0852 -22.1451
23 O6a O 29.1914 -28.2531
24 C1b C 21.6793 -20.6707
25 C1b C 25.7513 -26.9893
26 O1a O 27.1554 -28.4637
27 C1a C 25.0492 -28.2531
28 C1b C 22.8953 -19.9686
29 Z Si 22.8954 -18.5647
30 C1a C 24.2995 -18.5647
31 C1a C 21.4912 -18.5647
32 C1a C 22.8954 -17.1605
BOND 36
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 8 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 12 14 1
17 14 15 1
18 15 16 2
19 16 17 1
20 16 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 15 21 1
25 17 11 2
26 14 22 2
27 19 23 2
28 10 24 1
29 18 25 1 #Down
30 18 26 1 #Up
31 25 27 1
32 24 28 1
33 28 29 1
34 29 30 1
35 29 31 1
36 29 32 1
|
|---|
