| Collection |
D4 : TTD |
| Chemical Name |
Cosalane derivative ( From PubChem : C H E M B L 2 6 4 0 8 5 ) |
| 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 |
| 1123.67 g/mol |
2 |
10 |
10.0638 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 9 H 7 2 B 2 C l 2 O 1 0 . 4 N a / c 1 - 3 5 ( 2 ) 1 0 - 6 - 1 1 - 3 6 ( 3 ) 4 9 - 2 0 - 2 1 - 5 0 - 4 6 - 1 9 - 1 8 - 4 2 - 2 6 - 3 7 ( 2 2 - 2 4 - 5 8 ( 4 2 , 4 ) 5 1 ( 4 6 ) 2 3 - 2 5 - 5 9 ( 4 9 , 5 0 ) 5 ) 1 2 - 9 - 1 7 - 4 5 ( 4 0 - 2 9 - 4 7 ( 5 6 ( 6 4 ) 6 5 ) 5 4 ( 5 2 ( 6 2 ) 3 1 - 4 0 ) 7 2 - 3 3 - 3 8 - 1 3 - 7 - 1 5 - 4 3 ( 2 7 - 3 8 ) 6 0 ( 6 8 ) 6 9 ) 4 1 - 3 0 - 4 8 ( 5 7 ( 6 6 ) 6 7 ) 5 5 ( 5 3 ( 6 3 ) 3 2 - 4 1 ) 7 3 - 3 4 - 3 9 - 1 4 - 8 - 1 6 - 4 4 ( 2 8 - 3 9 ) 6 1 ( 7 0 ) 7 1 ; ; ; ; / h 7 - 8 , 1 3 - 1 7 , 2 7 - 3 2 , 3 5 - 3 7 , 4 2 , 4 6 , 4 9 - 5 1 , 6 8 , 7 0 H , 6 , 9 - 1 2 , 1 8 - 2 6 , 3 3 - 3 4 H 2 , 1 - 5 H 3 , ( H , 6 4 , 6 5 ) ( H , 6 6 , 6 7 ) ; ; ; ; / q - 2 ; 4 * + 1 / p - 2 / t 3 6 ? , 3 7 - , 4 2 ? , 4 6 ? , 4 9 + , 5 0 ? , 5 1 ? , 5 8 - , 5 9 + ; ; ; ; / m 0 . . . . / s 1 |
| InChIKey |
A B Z N J Z X R G K G M J C - M C U H G X D S S A - L
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CCR1 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
