Entry |
|
Name |
Vorasidenib (USAN/INN) |
Formula |
C14H13ClF6N6
|
Exact mass |
414.0794
|
Mol weight |
414.7366
|
Structure |
|
Remark |
|
Efficacy |
Antineoplastic, Isocitrate dehydrogenase inhibitor |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
IDH
D11834 Vorasidenib (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 27
1 C8y C 18.6200 -16.9400
2 N5x N 18.6200 -15.5400
3 C8y C 19.8100 -14.8400
4 N5x N 21.0700 -15.5400
5 C8y C 21.0700 -16.9400
6 N5x N 19.8100 -17.6400
7 N1b N 22.2600 -17.6400
8 C1c C 23.4500 -16.9400
9 N1b N 17.4300 -17.6400
10 C1c C 16.2400 -16.9400
11 C1a C 15.0500 -17.6400
12 C1d C 16.2400 -15.5400
13 C8y C 19.8100 -13.4400
14 N5x N 18.6200 -12.7400
15 C8y C 18.6200 -11.3400
16 C8x C 19.8100 -10.6400
17 C8x C 21.0700 -11.3400
18 C8x C 21.0700 -12.7400
19 X Cl 17.4300 -10.6400
20 X F 15.0500 -14.8400
21 X F 17.4300 -14.8400
22 X F 15.0500 -16.2400
23 C1a C 24.6400 -17.6400
24 C1d C 23.4500 -15.5400
25 X F 24.6400 -14.8400
26 X F 22.2600 -14.8400
27 X F 24.6400 -16.2400
BOND 28
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 1
9 1 9 1
10 9 10 1
11 10 11 1 #Down
12 10 12 1
13 3 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 15 19 1
21 12 20 1
22 12 21 1
23 12 22 1
24 8 23 1 #Up
25 8 24 1
26 24 25 1
27 24 26 1
28 24 27 1
|