| Entry |
|
|---|
| Name |
Valrubicin (USP/INN);
Valstar (TN) |
|---|
| Product |
|
|---|
| Generic |
|
|---|
| Formula |
C34H36F3NO13
|
|---|
| Exact mass |
723.2139
|
|---|
| Mol weight |
723.64
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01682 Anthracycline antineoplastic
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Topoisomerase II inhibitor |
|---|
| Disease |
Carcinoma in situ of the urinary bladder [DS: H00022] |
|---|
| Comment |
Anthracyclines
|
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| 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
L01DB09 Valrubicin
D02697 Valrubicin (USP/INN) <US>
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Topoisomerase Inhibitors
Valrubicin
D02697 Valrubicin (USP/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
D02697 Valrubicin
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D02697 Valrubicin (USP/INN) <US>
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 51
1 C8x C 8.9927 -12.3374
2 C8x C 8.9927 -13.7394
3 C8y C 10.1844 -14.4404
4 C8y C 11.4462 -13.7394
5 C8y C 11.4462 -12.3374
6 C8x C 10.1844 -11.6365
7 C5x C 12.6379 -14.4404
8 C8y C 13.8295 -13.7394
9 C8y C 13.8295 -12.3374
10 C5x C 12.6379 -11.6365
11 C8y C 15.0914 -14.4404
12 C8y C 16.2830 -13.7394
13 C8y C 16.2830 -12.3374
14 C8y C 15.0914 -11.6365
15 C1y C 17.4747 -14.4404
16 C1x C 18.7364 -13.7394
17 C1z C 18.7364 -12.3374
18 C1x C 17.4747 -11.6365
19 O2a O 10.1844 -15.8424
20 C1a C 8.9927 -16.5433
21 O5x O 12.6379 -15.8424
22 O5x O 12.6379 -10.2344
23 O1a O 15.0914 -10.2344
24 O1a O 15.0914 -15.8424
25 O2a O 17.4747 -15.8424
26 C1y C 18.6663 -16.5433
27 C5a C 19.9282 -11.6365
28 C1b C 21.1198 -12.3374
29 O7a O 22.3115 -11.6365
30 O5a O 19.9282 -10.2344
31 O1a O 19.9282 -13.0384
32 C1x C 18.6663 -17.9454
33 C1y C 19.9282 -18.6463
34 C1y C 21.1198 -17.9454
35 C1y C 21.1198 -16.5433
36 O2x O 19.9282 -15.8424
37 N1b N 19.9282 -20.0483
38 C1a C 22.3115 -15.8424
39 O1a O 22.3115 -18.6463
40 C7a C 23.5238 -12.3233
41 C1b C 24.7048 -11.6284
42 C1b C 25.9126 -12.3128
43 C1b C 27.1361 -11.5926
44 C1a C 28.3458 -12.2772
45 O6a O 23.4655 -13.7365
46 C5a C 18.7097 -20.7518
47 C1d C 17.5074 -20.0575
48 O5a O 18.7098 -22.1473
49 X F 16.2935 -19.3567
50 X F 18.2209 -18.8212
51 X F 16.8199 -21.2491
BOND 55
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 3 19 1
23 19 20 1
24 7 21 2
25 10 22 2
26 14 23 1
27 11 24 1
28 26 25 1 #Down
29 15 25 1 #Down
30 17 27 1 #Up
31 27 28 1
32 28 29 1
33 27 30 2
34 17 31 1 #Down
35 26 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 26 36 1
41 33 37 1 #Up
42 35 38 1 #Up
43 34 39 1 #Up
44 29 40 1
45 40 41 1
46 41 42 1
47 42 43 1
48 43 44 1
49 40 45 2
50 37 46 1
51 46 47 1
52 46 48 2
53 47 49 1
54 47 50 1
55 47 51 1
|
|---|
