| Entry |
|
|---|
| Name |
Amrubicin (USAN/INN) |
|---|
| Formula |
C25H25NO9
|
|---|
| Exact mass |
483.1529
|
|---|
| Mol weight |
483.4673
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01682 Anthracycline antineoplastic
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
|
|---|
| Remark |
| Product (DG00703): | D07100<JP> |
|
|---|
| Efficacy |
Antineoplastic, Topoisomerase II inhibitor |
|---|
| Comment |
Anthracycline
|
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07042 | Antineoplastics - agents from natural products |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DB Anthracyclines and related substances
L01DB10 Amrubicin
D08854 Amrubicin (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00703 Amrubicin
D08854 Amrubicin
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00703 Amrubicin
D08854 Amrubicin
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D08854 Amrubicin (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00703 Amrubicin
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00703 Amrubicin
|
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| Other DBs |
|
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| KCF data |
ATOM 35
1 C8x C 14.4200 -12.1800
2 C8x C 14.4200 -13.5800
3 C8x C 15.6100 -14.2800
4 C8y C 16.8700 -13.5800
5 C8y C 16.8700 -12.1800
6 C8x C 15.6100 -11.4800
7 C5x C 18.0600 -14.2800
8 C8y C 19.2500 -13.5800
9 C8y C 19.2500 -12.1800
10 C5x C 18.0600 -11.4800
11 C8y C 20.5100 -14.2800
12 C8y C 21.7000 -13.5800
13 C8y C 21.7000 -12.1800
14 C8y C 20.5100 -11.4800
15 C1y C 22.8900 -14.2800
16 C1x C 24.1500 -13.5800
17 C1z C 24.1500 -12.1800
18 C1x C 22.8900 -11.4800
19 O5x O 18.0600 -15.6800
20 O5x O 18.0600 -10.0800
21 O1a O 20.5100 -10.0800
22 O1a O 20.5100 -15.6800
23 O2a O 22.8900 -15.6800
24 C1y C 24.0800 -16.3800
25 C5a C 25.3400 -11.4800
26 C1a C 26.5300 -12.1800
27 O5a O 25.3400 -10.0800
28 N1a N 25.3400 -12.8800
29 C1x C 24.0800 -17.7800
30 C1y C 25.3400 -18.4800
31 C1y C 26.5300 -17.7800
32 C1x C 26.5300 -16.3800
33 O2x O 25.3400 -15.6800
34 O1a O 27.7200 -18.4800
35 O1a O 25.3400 -19.8800
BOND 39
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 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 12 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 13 18 1
22 7 19 2
23 10 20 2
24 14 21 1
25 11 22 1
26 24 23 1 #Down
27 15 23 1 #Down
28 17 25 1 #Up
29 25 26 1
30 25 27 2
31 17 28 1 #Down
32 24 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 24 33 1
38 31 34 1 #Up
39 30 35 1 #Up
|
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