| Collection |
D4 : TTD |
| Chemical Name |
CRX-526 ( From PubChem : C R X - 5 2 6 ) |
| 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 |
| 1319.72 g/mol |
6 |
21 |
15.3552 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 6 9 H 1 2 7 N 2 O 1 9 P / c 1 - 7 - 1 3 - 1 9 - 2 2 - 2 5 - 2 8 - 3 1 - 3 4 - 4 0 - 4 3 - 5 4 ( 8 5 - 6 1 ( 7 5 ) 4 6 - 3 7 - 1 6 - 1 0 - 4 ) 4 9 - 5 9 ( 7 3 ) 7 0 - 5 7 ( 6 8 ( 7 9 ) 8 0 ) 5 3 - 8 4 - 6 9 - 6 5 ( 7 1 - 6 0 ( 7 4 ) 5 0 - 5 5 ( 8 6 - 6 2 ( 7 6 ) 4 7 - 3 8 - 1 7 - 1 1 - 5 ) 4 4 - 4 1 - 3 5 - 3 2 - 2 9 - 2 6 - 2 3 - 2 0 - 1 4 - 8 - 2 ) 6 7 ( 6 6 ( 5 8 ( 5 2 - 7 2 ) 8 8 - 6 9 ) 9 0 - 9 1 ( 8 1 , 8 2 ) 8 3 ) 8 9 - 6 4 ( 7 8 ) 5 1 - 5 6 ( 8 7 - 6 3 ( 7 7 ) 4 8 - 3 9 - 1 8 - 1 2 - 6 ) 4 5 - 4 2 - 3 6 - 3 3 - 3 0 - 2 7 - 2 4 - 2 1 - 1 5 - 9 - 3 / h 5 4 - 5 8 , 6 5 - 6 7 , 6 9 , 7 2 H , 7 - 5 3 H 2 , 1 - 6 H 3 , ( H , 7 0 , 7 3 ) ( H , 7 1 , 7 4 ) ( H , 7 9 , 8 0 ) ( H 2 , 8 1 , 8 2 , 8 3 ) / t 5 4 - , 5 5 - , 5 6 - , 5 7 + , 5 8 - , 6 5 - , 6 6 - , 6 7 - , 6 9 - / m 1 / s 1 |
| InChIKey |
P R I X X G N J D N L M B H - D P G P R P E C S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TLR4 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
