| Collection |
D4 : TTD |
| Chemical Name |
AZD1152 ( From PubChem : B A R A S E R T I B ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 587.54 g/mol |
5 |
11 |
3.7629 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 3 1 F N 7 O 6 P / c 1 - 2 - 3 4 ( 1 0 - 1 2 - 4 0 - 4 1 ( 3 6 , 3 7 ) 3 8 ) 9 - 4 - 1 1 - 3 9 - 2 1 - 7 - 8 - 2 2 - 2 3 ( 1 6 - 2 1 ) 2 8 - 1 7 - 2 9 - 2 6 ( 2 2 ) 3 1 - 2 4 - 1 4 - 2 0 ( 3 2 - 3 3 - 2 4 ) 1 5 - 2 5 ( 3 5 ) 3 0 - 1 9 - 6 - 3 - 5 - 1 8 ( 2 7 ) 1 3 - 1 9 / h 3 , 5 - 8 , 1 3 - 1 4 , 1 6 - 1 7 H , 2 , 4 , 9 - 1 2 , 1 5 H 2 , 1 H 3 , ( H , 3 0 , 3 5 ) ( H 2 , 3 6 , 3 7 , 3 8 ) ( H 2 , 2 8 , 2 9 , 3 1 , 3 2 , 3 3 ) |
| InChIKey |
G B J V V S C P O B P E I T - U H F F F A O Y S A - N
|
| Links |
|
Gene
(2 /
7)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Multitarget | AURKA | | | Clinical trial target | | TTD | Inhibitor | AURKA | | | Clinical trial target | | TTD | Drug(s) | AURKA | | | Clinical trial target | | TTD | Multitarget | AURKB | | | Clinical trial target | | TTD | Inhibitor | AURKB | | | Clinical trial target | | TTD | Drug(s) | AURKB | | | Clinical trial target | | ChEMBL | Activity | - | | AURKB
| - |  | Target : CHEMBL2185 |
|
| Download gene sets |
gmt, text, Detailed text
|
