| Collection |
D4 : TTD |
| Chemical Name |
QNEQCPQVSac ( From PubChem : Q N E Q C P Q V S A C ) |
| 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 |
| 1074.12 g/mol |
16 |
32 |
-2.0586 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 2 H 6 7 N 1 3 O 1 8 S / c 1 - 1 8 ( 2 ) 3 3 ( 5 4 - 3 7 ( 6 7 ) 2 5 ( 1 6 - 5 6 ) 4 7 - 1 9 ( 3 ) 5 7 ) 4 0 ( 7 0 ) 5 0 - 2 2 ( 7 - 1 1 - 2 9 ( 4 4 ) 5 9 ) 4 1 ( 7 1 ) 5 5 - 1 4 - 4 - 5 - 2 7 ( 5 5 ) 3 9 ( 6 9 ) 5 3 - 2 6 ( 1 7 - 7 4 ) 3 8 ( 6 8 ) 4 9 - 2 0 ( 6 - 1 0 - 2 8 ( 4 3 ) 5 8 ) 3 4 ( 6 4 ) 4 8 - 2 1 ( 9 - 1 3 - 3 2 ( 6 2 ) 6 3 ) 3 5 ( 6 5 ) 5 2 - 2 4 ( 1 5 - 3 1 ( 4 6 ) 6 1 ) 3 6 ( 6 6 ) 5 1 - 2 3 ( 4 2 ( 7 2 ) 7 3 ) 8 - 1 2 - 3 0 ( 4 5 ) 6 0 / h 1 8 , 2 0 - 2 7 , 3 3 , 5 6 , 7 4 H , 4 - 1 7 H 2 , 1 - 3 H 3 , ( H 2 , 4 3 , 5 8 ) ( H 2 , 4 4 , 5 9 ) ( H 2 , 4 5 , 6 0 ) ( H 2 , 4 6 , 6 1 ) ( H , 4 7 , 5 7 ) ( H , 4 8 , 6 4 ) ( H , 4 9 , 6 8 ) ( H , 5 0 , 7 0 ) ( H , 5 1 , 6 6 ) ( H , 5 2 , 6 5 ) ( H , 5 3 , 6 9 ) ( H , 5 4 , 6 7 ) ( H , 6 2 , 6 3 ) ( H , 7 2 , 7 3 ) / t 2 0 - , 2 1 - , 2 2 - , 2 3 - , 2 4 - , 2 5 - , 2 6 - , 2 7 - , 3 3 - / m 0 / s 1 |
| InChIKey |
G L S O S I F U C Z B H C X - A Y P R Z O F J S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SLC5A1 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
