| Collection |
D4 : TTD |
| Chemical Name |
SCH-725739 ( From PubChem : S C H - 7 2 5 7 3 9 ) |
| 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 |
| 1361.54 g/mol |
15 |
30 |
-0.8954 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 6 2 H 1 0 4 O 3 0 S / c 1 - 2 3 ( 2 ) 1 2 - 1 1 - 1 7 - 6 2 ( 1 0 , 7 6 ) 3 6 - 1 4 - 1 3 - 3 1 - 3 0 - 2 1 - 3 5 ( 3 3 - 2 0 - 2 9 ( 9 2 - 9 3 ( 7 7 , 7 8 ) 7 9 ) 1 5 - 1 8 - 6 0 ( 3 3 , 8 ) 3 2 ( 3 0 ) 1 6 - 1 9 - 6 1 ( 3 1 , 3 6 ) 9 ) 8 6 - 5 7 - 4 8 ( 7 5 ) 5 1 ( 3 9 ( 6 6 ) 2 6 ( 5 ) 8 3 - 5 7 ) 8 9 - 5 9 - 5 3 ( 9 1 - 5 6 - 4 5 ( 7 2 ) 4 2 ( 6 9 ) 3 8 ( 6 5 ) 2 5 ( 4 ) 8 2 - 5 6 ) 4 7 ( 7 4 ) 5 0 ( 2 8 ( 7 ) 8 5 - 5 9 ) 8 8 - 5 8 - 5 2 ( 9 0 - 5 5 - 4 4 ( 7 1 ) 4 1 ( 6 8 ) 3 7 ( 6 4 ) 2 4 ( 3 ) 8 1 - 5 5 ) 4 6 ( 7 3 ) 4 9 ( 2 7 ( 6 ) 8 4 - 5 8 ) 8 7 - 5 4 - 4 3 ( 7 0 ) 4 0 ( 6 7 ) 3 4 ( 6 3 ) 2 2 - 8 0 - 5 4 / h 1 6 , 2 3 - 3 1 , 3 3 - 5 9 , 6 3 - 7 6 H , 1 1 - 1 5 , 1 7 - 2 2 H 2 , 1 - 1 0 H 3 , ( H , 7 7 , 7 8 , 7 9 ) / t 2 4 - , 2 5 - , 2 6 - , 2 7 - , 2 8 - , 2 9 + , 3 0 ? , 3 1 ? , 3 3 ? , 3 4 + , 3 5 + , 3 6 ? , 3 7 + , 3 8 - , 3 9 - , 4 0 + , 4 1 + , 4 2 + , 4 3 - , 4 4 - , 4 5 - , 4 6 + , 4 7 + , 4 8 - , 4 9 - , 5 0 - , 5 1 + , 5 2 - , 5 3 - , 5 4 + , 5 5 + , 5 6 + , 5 7 + , 5 8 + , 5 9 + , 6 0 - , 6 1 + , 6 2 - / m 1 / s 1 |
| InChIKey |
R R D L U Y K Z N P W V N X - J A V H N L M B S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SCN10A | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
