| Collection |
D4 : TTD |
| Chemical Name |
HYNIC Analogue ( From PubChem : C H E M B L 3 8 4 9 5 0 ) |
| 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 |
| 1041.2 g/mol |
3 |
19 |
9.1562 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 3 H 6 6 N 1 0 O 9 S . N a / c 1 - 5 3 ( 2 , 2 6 - 1 2 - 1 4 - 3 2 - 7 2 - 5 0 - 3 8 - 4 5 ( 4 1 - 1 7 - 5 - 3 - 6 - 1 8 - 4 1 ) 3 7 - 4 6 ( 5 8 - 5 0 ) 4 2 - 1 9 - 7 - 4 - 8 - 2 0 - 4 2 ) 5 2 - 6 0 - 6 1 - 6 2 - 6 3 ( 5 2 ) 2 9 - 1 3 - 1 1 - 2 3 - 4 9 ( 6 4 ) 5 4 - 2 7 - 1 5 - 3 0 - 6 9 - 3 3 - 3 5 - 7 1 - 3 6 - 3 4 - 7 0 - 3 1 - 1 6 - 2 8 - 5 5 - 5 1 ( 6 5 ) 4 4 - 2 4 - 2 5 - 4 8 ( 5 6 - 3 9 - 4 4 ) 5 9 - 5 7 - 4 0 - 4 3 - 2 1 - 9 - 1 0 - 2 2 - 4 7 ( 4 3 ) 7 3 ( 6 6 , 6 7 ) 6 8 ; / h 3 - 1 0 , 1 7 - 2 2 , 2 4 - 2 5 , 3 7 - 4 0 H , 1 1 - 1 6 , 2 3 , 2 6 - 3 6 H 2 , 1 - 2 H 3 , ( H , 5 4 , 6 4 ) ( H , 5 5 , 6 5 ) ( H , 5 6 , 5 9 ) ( H , 6 6 , 6 7 , 6 8 ) ; / q ; + 1 / p - 1 / b 5 7 - 4 0 + ; |
| InChIKey |
S E L Y U K A R P P F N B W - M M E T X U H K S A - M
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | LTB4R | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
