| Collection |
D4 : TTD |
| Chemical Name |
Chebulagic acid ( From PubChem : C H E B U L A G I C A C I D ) |
| 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 |
| 954.661 g/mol |
13 |
27 |
-0.0017 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 1 H 3 0 O 2 7 / c 4 2 - 1 3 - 1 - 8 ( 2 - 1 4 ( 4 3 ) 2 4 ( 1 3 ) 4 9 ) 3 5 ( 5 6 ) 6 8 - 4 1 - 3 4 - 3 3 - 3 1 ( 6 4 - 3 9 ( 6 0 ) 1 2 ( 6 - 1 9 ( 4 7 ) 4 8 ) 2 2 - 2 3 - 1 1 ( 3 8 ( 5 9 ) 6 7 - 3 4 ) 5 - 1 7 ( 4 6 ) 2 7 ( 5 2 ) 3 2 ( 2 3 ) 6 5 - 4 0 ( 6 1 ) 3 0 ( 2 2 ) 5 5 ) 1 8 ( 6 3 - 4 1 ) 7 - 6 2 - 3 6 ( 5 7 ) 9 - 3 - 1 5 ( 4 4 ) 2 5 ( 5 0 ) 2 8 ( 5 3 ) 2 0 ( 9 ) 2 1 - 1 0 ( 3 7 ( 5 8 ) 6 6 - 3 3 ) 4 - 1 6 ( 4 5 ) 2 6 ( 5 1 ) 2 9 ( 2 1 ) 5 4 / h 1 - 5 , 1 2 , 1 8 , 2 2 , 3 0 - 3 1 , 3 3 - 3 4 , 4 1 - 4 6 , 4 9 - 5 5 H , 6 - 7 H 2 , ( H , 4 7 , 4 8 ) / t 1 2 - , 1 8 ? , 2 2 ? , 3 0 - , 3 1 ? , 3 3 ? , 3 4 ? , 4 1 - / m 0 / s 1 |
| InChIKey |
H G J X A V R O W Q L C T P - A I X P U N H M S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ALOX5 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
