Entry |
|
Name |
Avanbulin (USAN/INN) |
Formula |
C20H17N7O2
|
Exact mass |
387.1444
|
Mol weight |
387.39
|
Structure |

|
Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D11681 Avanbulin (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 29
1 C8x C 11.5500 -9.7300
2 C8x C 10.9200 -8.5400
3 C8x C 9.5200 -8.5400
4 C8x C 8.8200 -9.6600
5 C8y C 9.4500 -10.9200
6 C8y C 10.8500 -10.9200
7 N5x N 8.9600 -12.2500
8 C8y C 10.0800 -13.0900
9 N4y N 11.2700 -12.2500
10 C8y C 10.0800 -14.4900
11 C1b C 12.4600 -12.9500
12 C5a C 13.6500 -12.2500
13 C8y C 14.8400 -12.9500
14 O5a O 13.6500 -10.8500
15 C8x C 14.8400 -14.3500
16 C8x C 16.1000 -15.0500
17 C8y C 17.2900 -14.3500
18 C8x C 17.2900 -12.9500
19 C8x C 16.1000 -12.2500
20 C8y C 8.9600 -15.3300
21 N5x N 9.3800 -16.6600
22 O2x O 10.7800 -16.6600
23 N5x N 11.2000 -15.3300
24 N1b N 7.7700 -14.6300
25 C1b C 6.5800 -15.3300
26 C1b C 5.3900 -14.6300
27 C3b C 4.2000 -15.3300
28 N3a N 2.9400 -16.0300
29 N1a N 18.4800 -15.0500
BOND 32
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 5 7 1
8 7 8 2
9 8 9 1
10 6 9 1
11 8 10 1
12 11 9 1
13 11 12 1
14 12 13 1
15 12 14 2
16 13 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 13 19 1
22 10 20 1
23 20 21 2
24 21 22 1
25 22 23 1
26 10 23 2
27 20 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 3
32 17 29 1
|