| Collection |
D4 : TTD |
| Chemical Name |
N-Butyl-ETAV ( From PubChem : N - B U T Y L - E T A V ) |
| 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 |
| 474.548 g/mol |
7 |
12 |
0.7688 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 3 8 N 4 O 8 / c 1 - 6 - 7 - 1 0 - 2 2 - 1 4 ( 8 - 9 - 1 5 ( 2 7 ) 2 8 ) 1 9 ( 3 0 ) 2 5 - 1 7 ( 1 3 ( 5 ) 2 6 ) 2 0 ( 3 1 ) 2 3 - 1 2 ( 4 ) 1 8 ( 2 9 ) 2 4 - 1 6 ( 1 1 ( 2 ) 3 ) 2 1 ( 3 2 ) 3 3 / h 1 1 - 1 4 , 1 6 - 1 7 , 2 2 , 2 6 H , 6 - 1 0 H 2 , 1 - 5 H 3 , ( H , 2 3 , 3 1 ) ( H , 2 4 , 2 9 ) ( H , 2 5 , 3 0 ) ( H , 2 7 , 2 8 ) ( H , 3 2 , 3 3 ) / t 1 2 - , 1 3 ? , 1 4 - , 1 6 - , 1 7 - / m 0 / s 1 |
| InChIKey |
D G L I B F Y K W H J A S P - U P K C P H K A S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | DLG4 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
