| Collection |
D4 : TTD |
| Chemical Name |
Deoxy-Bigchap ( From PubChem : D E O X Y - B I G C H A P ) |
| 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 |
| 862.056 g/mol |
14 |
18 |
-2.1119 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 2 H 7 5 N 3 O 1 5 / c 1 - 2 2 ( 2 6 - 9 - 1 0 - 2 7 - 2 5 - 8 - 7 - 2 3 - 1 8 - 2 4 ( 4 8 ) 1 2 - 1 3 - 4 1 ( 2 3 , 2 ) 2 8 ( 2 5 ) 1 9 - 3 1 ( 5 1 ) 4 2 ( 2 6 , 2 7 ) 3 ) 6 - 1 1 - 3 2 ( 5 2 ) 4 5 ( 1 6 - 4 - 1 4 - 4 3 - 3 9 ( 5 9 ) 3 7 ( 5 7 ) 3 5 ( 5 5 ) 3 3 ( 5 3 ) 2 9 ( 4 9 ) 2 0 - 4 6 ) 1 7 - 5 - 1 5 - 4 4 - 4 0 ( 6 0 ) 3 8 ( 5 8 ) 3 6 ( 5 6 ) 3 4 ( 5 4 ) 3 0 ( 5 0 ) 2 1 - 4 7 / h 2 2 - 3 1 , 3 3 - 3 8 , 4 6 - 5 1 , 5 3 - 5 8 H , 4 - 2 1 H 2 , 1 - 3 H 3 , ( H , 4 3 , 5 9 ) ( H , 4 4 , 6 0 ) / t 2 2 - , 2 3 ? , 2 4 - , 2 5 ? , 2 6 ? , 2 7 ? , 2 8 ? , 2 9 - , 3 0 - , 3 1 + , 3 3 - , 3 4 - , 3 5 + , 3 6 + , 3 7 - , 3 8 - , 4 1 + , 4 2 - / m 1 / s 1 |
| InChIKey |
O J S U W T D D X L C U F R - C U P D K S H U S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PPARA | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
