| Collection |
D4 : TTD |
| Chemical Name |
VL-0699 ( From PubChem : C H E M B L 2 0 8 1 7 1 ) |
| 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 |
| 471.504 g/mol |
4 |
8 |
4.0828 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 2 5 N 3 O 5 / c 1 - 1 8 ( 3 1 ) 2 8 - 2 3 ( 1 6 - 1 9 - 1 0 - 4 - 2 - 5 - 1 1 - 1 9 ) 2 6 ( 3 3 ) 2 9 - 2 2 - 1 5 - 9 - 8 - 1 4 - 2 1 ( 2 2 ) 2 5 ( 3 2 ) 3 0 - 2 4 ( 2 7 ( 3 4 ) 3 5 ) 1 7 - 2 0 - 1 2 - 6 - 3 - 7 - 1 3 - 2 0 / h 2 - 1 6 , 2 4 H , 1 7 H 2 , 1 H 3 , ( H , 2 8 , 3 1 ) ( H , 2 9 , 3 3 ) ( H , 3 0 , 3 2 ) ( H , 3 4 , 3 5 ) / b 2 3 - 1 6 + / t 2 4 - / m 0 / s 1 |
| InChIKey |
G K G Z J D O S L X U A B F - D F O Z Z H O T S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CCKAR | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
