| Collection |
D4 : TTD |
| Chemical Name |
NE21650 ( From PubChem : C H E M B L 4 1 4 8 4 9 ) |
| 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 |
| 297.139 g/mol |
6 |
8 |
0.394 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 8 H 1 3 N O 7 P 2 / c 9 - 7 - 4 - 2 - 1 - 3 - 6 ( 7 ) 5 - 8 ( 1 0 , 1 7 ( 1 1 , 1 2 ) 1 3 ) 1 8 ( 1 4 , 1 5 ) 1 6 / h 1 - 4 , 1 0 H , 5 , 9 H 2 , ( H 2 , 1 1 , 1 2 , 1 3 ) ( H 2 , 1 4 , 1 5 , 1 6 ) |
| InChIKey |
V J X Y J O N F U Z X Z J Z - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | FDPS | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
