| Collection |
D4 : TTD |
| Chemical Name |
ERITORAN ( From PubChem : E R I T O R A N ) |
| 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 |
| 1313.66 g/mol |
7 |
21 |
14.393 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 6 6 H 1 2 6 N 2 O 1 9 P 2 / c 1 - 7 - 1 1 - 1 5 - 1 9 - 2 2 - 2 5 - 2 6 - 2 7 - 2 8 - 2 9 - 3 0 - 3 2 - 3 4 - 3 8 - 4 2 - 4 6 - 5 7 ( 7 0 ) 6 7 - 6 0 - 6 4 ( 8 2 - 4 9 - 4 7 - 5 4 ( 8 0 - 6 ) 4 5 - 4 1 - 3 6 - 1 8 - 1 4 - 1 0 - 4 ) 6 2 ( 8 6 - 8 8 ( 7 3 , 7 4 ) 7 5 ) 5 6 ( 5 1 - 7 9 - 5 ) 8 5 - 6 5 ( 6 0 ) 8 3 - 5 2 - 5 5 - 6 1 ( 7 2 ) 6 3 ( 8 1 - 4 8 - 4 3 - 3 9 - 3 5 - 2 4 - 2 1 - 1 7 - 1 3 - 9 - 3 ) 5 9 ( 6 6 ( 8 4 - 5 5 ) 8 7 - 8 9 ( 7 6 , 7 7 ) 7 8 ) 6 8 - 5 8 ( 7 1 ) 5 0 - 5 3 ( 6 9 ) 4 4 - 4 0 - 3 7 - 3 3 - 3 1 - 2 3 - 2 0 - 1 6 - 1 2 - 8 - 2 / h 2 5 - 2 6 , 5 4 - 5 6 , 5 9 - 6 6 , 7 2 H , 7 - 2 4 , 2 7 - 5 2 H 2 , 1 - 6 H 3 , ( H , 6 7 , 7 0 ) ( H , 6 8 , 7 1 ) ( H 2 , 7 3 , 7 4 , 7 5 ) ( H 2 , 7 6 , 7 7 , 7 8 ) / b 2 6 - 2 5 - / t 5 4 - , 5 5 - , 5 6 - , 5 9 - , 6 0 - , 6 1 - , 6 2 - , 6 3 - , 6 4 - , 6 5 - , 6 6 - / m 1 / s 1 |
| InChIKey |
B P S M Y Q F M C X X N P C - M F C P C Z T F 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
|
