 | | DRUG: Batabulin sodium | |
| Entry |
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| Name |
Batabulin sodium (USAN) |
|---|
| Formula |
C13H6F6NO3S. Na
|
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| Exact mass |
392.9870
|
|---|
| Mol weight |
393.24
|
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| Structure |
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| Simcomp |
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| Remark |
|
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| Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
|---|
| Comment |
Treatment of various refractory cancers, including hepatocellular carcinoma, breast, colon and non-small cell lung cancer
|
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| Target |
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| Pathway |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D03059 Batabulin sodium (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 25
1 C8y C 20.9568 -17.4172
2 O2a O 22.1407 -18.1136
3 C8x C 20.9568 -15.9547
4 C8y C 19.7032 -18.1136
5 C1a C 23.3247 -17.4172
6 C8x C 19.7032 -15.2582
7 C8x C 18.5193 -17.4172
8 C8y C 18.5193 -15.9547
9 N1b N 17.3354 -15.2582 #-
10 S4a S 16.0818 -15.9547
11 C8y C 14.8979 -15.2582
12 O3c O 17.3354 -16.7207
13 O3c O 15.0372 -16.7207
14 X F 19.6862 -19.5299
15 C8y C 14.9092 -13.8600
16 C8y C 13.7025 -13.1502
17 C8y C 12.4845 -13.8403
18 C8y C 12.4731 -15.2385
19 C8y C 13.6798 -15.9483
20 X F 13.6685 -17.3599
21 X F 11.2358 -15.9392
22 X F 11.2686 -13.1248
23 X F 13.7140 -11.7600
24 X F 16.1279 -13.1696
25 Z Na 27.0900 -17.2900 #+
BOND 25
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 6 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 10 12 2
12 10 13 2
13 7 8 2
14 4 14 1
15 11 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 11 19 1
21 19 20 1
22 18 21 1
23 17 22 1
24 16 23 1
25 15 24 1
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