| Collection |
D4 : TTD |
| Chemical Name |
DM3A6S ( From PubChem : C H E M B L 4 3 7 6 8 2 ) |
| 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 |
| 409.453 g/mol |
1 |
8 |
2.4876 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 3 N O 7 S / c 1 - 1 0 ( 2 1 ) 2 5 - 1 4 - 5 - 3 - 1 1 - 9 - 1 3 - 1 2 - 4 - 6 - 1 5 ( 2 7 - 2 8 ( 2 2 , 2 3 ) 2 4 ) 1 8 - 1 9 ( 1 2 , 7 - 8 - 2 0 ( 1 3 ) 2 ) 1 6 ( 1 1 ) 1 7 ( 1 4 ) 2 6 - 1 8 / h 3 , 5 , 1 2 - 1 3 , 1 5 , 1 8 H , 4 , 6 - 9 H 2 , 1 - 2 H 3 , ( H , 2 2 , 2 3 , 2 4 ) / t 1 2 - , 1 3 + , 1 5 - , 1 8 - , 1 9 - / m 0 / s 1 |
| InChIKey |
Y A T Y B W X T H X F Y J T - S S T W W W I Q 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
|
