| Collection |
D4 : TTD |
| Chemical Name |
F(4-Fluoro)VAE ( From PubChem : C H E M B L 2 5 8 5 8 3 ) |
| 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 |
| 482.503 g/mol |
6 |
11 |
1.6482 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 3 1 F N 4 O 7 / c 1 - 1 1 ( 2 ) 1 8 ( 2 7 - 2 0 ( 3 1 ) 1 5 ( 2 4 ) 1 0 - 1 3 - 4 - 6 - 1 4 ( 2 3 ) 7 - 5 - 1 3 ) 2 1 ( 3 2 ) 2 5 - 1 2 ( 3 ) 1 9 ( 3 0 ) 2 6 - 1 6 ( 2 2 ( 3 3 ) 3 4 ) 8 - 9 - 1 7 ( 2 8 ) 2 9 / h 4 - 7 , 1 1 - 1 2 , 1 5 - 1 6 , 1 8 H , 8 - 1 0 , 2 4 H 2 , 1 - 3 H 3 , ( H , 2 5 , 3 2 ) ( H , 2 6 , 3 0 ) ( H , 2 7 , 3 1 ) ( H , 2 8 , 2 9 ) ( H , 3 3 , 3 4 ) / t 1 2 - , 1 5 - , 1 6 - , 1 8 - / m 0 / s 1 |
| InChIKey |
H R E K B P J J O G C V R C - R P Z X M P E S S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | HMGCR | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
