| Collection |
D4 : TTD |
| Chemical Name |
Kinome_3712 ( From PubChem : S N S - 3 1 4 M E S Y L A T E ) |
| 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 |
| 527.04 g/mol |
4 |
12 |
5.9036 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 8 H 1 5 C l N 6 O S 2 . C H 4 O 3 S / c 1 9 - 1 1 - 2 - 1 - 3 - 1 2 ( 8 - 1 1 ) 2 4 - 1 7 ( 2 6 ) 2 5 - 1 8 - 2 1 - 9 - 1 3 ( 2 8 - 1 8 ) 4 - 6 - 2 0 - 1 6 - 1 5 - 1 4 ( 5 - 7 - 2 7 - 1 5 ) 2 2 - 1 0 - 2 3 - 1 6 ; 1 - 5 ( 2 , 3 ) 4 / h 1 - 3 , 5 , 7 - 1 0 H , 4 , 6 H 2 , ( H , 2 0 , 2 2 , 2 3 ) ( H 2 , 2 1 , 2 4 , 2 5 , 2 6 ) ; 1 H 3 , ( H , 2 , 3 , 4 ) |
| InChIKey |
F Y C O D P V D E F F W S R - U H F F F A O Y S A - N
|
| Links |
|
Gene
(3 /
9)
⊖ 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 | | TTD | Multitarget | AURKC | | | Clinical trial target | | TTD | Inhibitor | AURKC | | | Clinical trial target | | TTD | Drug(s) | AURKC | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
