| Collection |
D4 : TTD |
| Chemical Name |
DC6S ( From PubChem : D C 6 S ) |
| 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 |
| 381.443 g/mol |
1 |
7 |
2.5709 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 8 H 2 3 N O 6 S / c 1 - 1 9 - 8 - 7 - 1 8 - 1 1 - 4 - 6 - 1 4 ( 2 5 - 2 6 ( 2 0 , 2 1 ) 2 2 ) 1 7 ( 1 8 ) 2 4 - 1 6 - 1 3 ( 2 3 - 2 ) 5 - 3 - 1 0 ( 1 5 ( 1 6 ) 1 8 ) 9 - 1 2 ( 1 1 ) 1 9 / h 3 , 5 , 1 1 - 1 2 , 1 4 , 1 7 H , 4 , 6 - 9 H 2 , 1 - 2 H 3 , ( H , 2 0 , 2 1 , 2 2 ) / t 1 1 - , 1 2 + , 1 4 - , 1 7 - , 1 8 - / m 0 / s 1 |
| InChIKey |
U F G Y W O I C N C S H B B - X S S Y P U M D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | OPRM1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
