| Collection |
D4 : TTD |
| Chemical Name |
VL-1499 ( From PubChem : C H E M B L 3 7 7 1 5 7 ) |
| 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 |
| 414.453 g/mol |
3 |
6 |
4.2281 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 2 2 N 2 O 4 / c 2 8 - 2 3 ( 1 6 - 1 5 - 1 8 - 9 - 3 - 1 - 4 - 1 0 - 1 8 ) 2 6 - 2 1 - 1 4 - 8 - 7 - 1 3 - 2 0 ( 2 1 ) 2 4 ( 2 9 ) 2 7 - 2 2 ( 2 5 ( 3 0 ) 3 1 ) 1 7 - 1 9 - 1 1 - 5 - 2 - 6 - 1 2 - 1 9 / h 1 - 1 6 , 2 2 H , 1 7 H 2 , ( H , 2 6 , 2 8 ) ( H , 2 7 , 2 9 ) ( H , 3 0 , 3 1 ) / b 1 6 - 1 5 + / t 2 2 - / m 0 / s 1 |
| InChIKey |
G K K J C D Q B Y J Q S Q R - B Q X Q K Y N 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
|
