| Entry |
|
|---|
| Name |
Idarubicin (INN);
Zavedos (TN) |
|---|
| Formula |
C26H27NO9
|
|---|
| Exact mass |
497.1686
|
|---|
| Mol weight |
497.4939
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Source |
Streptomyces peucetius [TAX: 1950]
|
|---|
| Class |
Antineoplastic
DG01682 Anthracycline antineoplastic
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
|
|---|
| Remark |
| Product (DG00700): | D01747<JP/US> |
|
|---|
| Efficacy |
Antibiotic, Antineoplastic, Topoisomerase II inhibitor |
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07042 | Antineoplastics - agents from natural products |
|
|---|
| 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
L01DB06 Idarubicin
D08062 Idarubicin (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00700 Idarubicin
D08062 Idarubicin
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00700 Idarubicin
D08062 Idarubicin
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D08062 Idarubicin (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00700 Idarubicin
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00700 Idarubicin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 36
1 C8x C 16.3100 -15.1900
2 C8x C 16.3100 -16.5900
3 C8x C 17.5000 -17.2900
4 C8y C 18.7600 -16.5900
5 C8y C 18.7600 -15.1900
6 C8x C 17.5000 -14.5600
7 C5x C 19.9500 -17.2900
8 C8y C 21.1400 -16.5900
9 C8y C 21.1400 -15.1900
10 C5x C 19.9500 -14.5600
11 C8y C 22.4000 -17.2900
12 C8y C 23.5900 -16.5900
13 C8y C 23.5900 -15.1900
14 C8y C 22.4000 -14.5600
15 C1y C 24.7800 -17.2900
16 C1x C 26.0400 -16.5900
17 C1z C 26.0400 -15.1900
18 C1x C 24.7800 -14.5600
19 O5x O 19.9500 -13.1600
20 O5x O 19.9500 -18.6900
21 O1a O 22.4000 -13.1600
22 O1a O 22.4000 -18.6900
23 C5a C 27.2300 -14.3500
24 C1a C 28.3500 -14.9800
25 O5a O 27.2300 -12.9500
26 O1a O 27.2300 -16.0300
27 O2a O 24.7800 -18.6900
28 C1y C 25.9700 -19.3900
29 C1x C 25.9700 -20.7900
30 C1y C 27.2300 -21.4900
31 C1y C 28.3500 -20.7900
32 C1y C 28.3500 -19.3900
33 O2x O 27.2300 -18.6900
34 C1a C 29.5400 -18.6900
35 O1a O 29.5400 -21.4900
36 N1a N 27.2300 -22.8900
BOND 40
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 10 19 2
23 7 20 2
24 14 21 1
25 11 22 1
26 17 23 1 #Up
27 23 24 1
28 23 25 2
29 17 26 1 #Down
30 15 27 1 #Down
31 28 27 1 #Down
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 28 33 1
38 32 34 1 #Up
39 31 35 1 #Up
40 30 36 1 #Up
|
|---|
