| Collection |
D4 : TTD |
| Chemical Name |
EMD-534085 ( From PubChem : E M D - 5 3 4 0 8 5 ) |
| 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 |
| 476.534 g/mol |
3 |
6 |
5.4891 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 1 F 3 N 4 O 2 / c 1 - 3 2 ( 2 ) 1 3 - 1 2 - 2 9 - 2 4 ( 3 3 ) 3 0 - 1 5 - 1 8 - 9 - 1 0 - 1 9 - 2 2 ( 1 6 - 6 - 4 - 3 - 5 - 7 - 1 6 ) 3 1 - 2 1 - 1 1 - 8 - 1 7 ( 2 5 ( 2 6 , 2 7 ) 2 8 ) 1 4 - 2 0 ( 2 1 ) 2 3 ( 1 9 ) 3 4 - 1 8 / h 3 - 8 , 1 1 , 1 4 , 1 8 - 1 9 , 2 2 - 2 3 , 3 1 H , 9 - 1 0 , 1 2 - 1 3 , 1 5 H 2 , 1 - 2 H 3 , ( H 2 , 2 9 , 3 0 , 3 3 ) / t 1 8 - , 1 9 + , 2 2 + , 2 3 + / m 1 / s 1 |
| InChIKey |
M A R I U I D C P U Z L K Z - F U K Q B S R T S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | KIF11 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
