| Entry |
|
|---|
| Name |
Pirarubicin hydrochloride;
Pinorubin (TN);
Therarubicin (TN) |
|---|
| Formula |
C32H37NO12. HCl
|
|---|
| Exact mass |
663.2083
|
|---|
| Mol weight |
664.0966
|
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| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01682 Anthracycline antineoplastic
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
|
|---|
| Remark |
| Therapeutic category: | 4235 |
| Product (DG00702): | D08386<JP> |
|
|---|
| 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
L01DB08 Pirarubicin
D08386 Pirarubicin hydrochloride <JP>
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
423 Antibiotics
4235 Anthracycline antibiotics
D08386 Pirarubicin hydrochloride
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00702 Pirarubicin
D08386 Pirarubicin hydrochloride
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00702 Pirarubicin
D08386 Pirarubicin hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D08386 Pirarubicin hydrochloride <JP>
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00702 Pirarubicin
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00702 Pirarubicin
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 46
1 C1y C 30.1700 -20.7200
2 O2x O 31.4300 -21.4200
3 C1x C 32.6200 -20.7200
4 C1x C 32.6900 -19.3200
5 C1x C 31.3600 -18.6200
6 C1x C 30.1700 -19.3200
7 C8x C 15.6800 -15.1200
8 C8x C 15.6800 -16.5200
9 C8y C 16.8700 -17.2200
10 C8y C 18.1300 -16.5200
11 C8y C 18.1300 -15.1200
12 C8x C 16.8700 -14.4200
13 C5x C 19.3200 -17.2200
14 C8y C 20.5100 -16.5200
15 C8y C 20.5100 -15.1200
16 C5x C 19.3200 -14.4200
17 C8y C 21.7700 -17.2200
18 C8y C 22.9600 -16.5200
19 C8y C 22.9600 -15.1200
20 C8y C 21.7700 -14.4200
21 C1y C 24.1500 -17.2200
22 C1x C 25.4100 -16.5200
23 C1z C 25.4100 -15.1200
24 C1x C 24.1500 -14.4200
25 O2a O 16.8700 -18.6200
26 C1a C 15.6800 -19.3200
27 O5x O 19.3200 -18.6200
28 O5x O 19.3200 -13.0200
29 O1a O 21.7700 -13.0200
30 O1a O 21.7700 -18.6200
31 O2a O 24.1500 -18.6200
32 C1y C 25.3400 -19.3200
33 C5a C 26.6000 -14.4200
34 C1b C 27.7900 -15.1200
35 O1a O 28.9800 -14.4200
36 O5a O 26.6000 -13.0200
37 O1a O 26.6000 -15.8200
38 C1x C 25.3400 -20.7200
39 C1y C 26.6000 -21.4200
40 C1y C 27.7900 -20.7200
41 C1y C 27.7900 -19.3200
42 O2x O 26.6000 -18.6200
43 N1a N 26.6000 -22.8200
44 C1a C 28.9800 -18.6200
45 O2a O 28.9800 -21.4200
46 X Cl 33.3200 -16.8000
BOND 50
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 10 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 11 16 1
18 14 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 15 20 2
23 18 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 9 25 1
29 25 26 1
30 13 27 2
31 16 28 2
32 20 29 1
33 17 30 1
34 32 31 1 #Down
35 21 31 1 #Down
36 23 33 1 #Up
37 33 34 1
38 34 35 1
39 33 36 2
40 23 37 1 #Down
41 32 38 1
42 38 39 1
43 39 40 1
44 40 41 1
45 41 42 1
46 32 42 1
47 39 43 1 #Up
48 41 44 1 #Up
49 40 45 1 #Up
50 1 45 1 #Up
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