| Collection |
D4 : TTD |
| Chemical Name |
Ly231514 Tetra Glu ( From PubChem : L Y B ) |
| 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 |
| 685.639 g/mol |
10 |
17 |
1.1195 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 3 5 N 7 O 1 2 / c 3 1 - 3 0 - 3 6 - 2 4 - 2 3 ( 2 6 ( 4 3 ) 3 7 - 3 0 ) 1 6 ( 1 3 - 3 2 - 2 4 ) 6 - 3 - 1 4 - 1 - 4 - 1 5 ( 5 - 2 - 1 4 ) 2 5 ( 4 2 ) 3 5 - 1 9 ( 2 9 ( 4 8 ) 4 9 ) 8 - 1 1 - 2 1 ( 3 9 ) 3 3 - 1 7 ( 2 7 ( 4 4 ) 4 5 ) 7 - 1 0 - 2 0 ( 3 8 ) 3 4 - 1 8 ( 2 8 ( 4 6 ) 4 7 ) 9 - 1 2 - 2 2 ( 4 0 ) 4 1 / h 1 - 2 , 4 - 5 , 1 3 , 1 7 - 1 9 H , 3 , 6 - 1 2 H 2 , ( H , 3 3 , 3 9 ) ( H , 3 4 , 3 8 ) ( H , 3 5 , 4 2 ) ( H , 4 0 , 4 1 ) ( H , 4 4 , 4 5 ) ( H , 4 6 , 4 7 ) ( H , 4 8 , 4 9 ) ( H 4 , 3 1 , 3 2 , 3 6 , 3 7 , 4 3 ) / t 1 7 - , 1 8 - , 1 9 - / m 0 / s 1 |
| InChIKey |
D V A B I S O Q Q N S P J W - F H W L Q O O X S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TYMS | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
