| Collection |
D4 : TTD |
| Chemical Name |
DM3B6S ( From PubChem : C H E M B L 2 1 3 7 3 7 ) |
| 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 |
| 471.523 g/mol |
1 |
8 |
3.7815 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 5 N O 7 S / c 1 - 2 5 - 1 2 - 1 1 - 2 4 - 1 6 - 8 - 1 0 - 1 9 ( 3 2 - 3 3 ( 2 7 , 2 8 ) 2 9 ) 2 2 ( 2 4 ) 3 1 - 2 1 - 1 8 ( 9 - 7 - 1 5 ( 2 0 ( 2 1 ) 2 4 ) 1 3 - 1 7 ( 1 6 ) 2 5 ) 3 0 - 2 3 ( 2 6 ) 1 4 - 5 - 3 - 2 - 4 - 6 - 1 4 / h 2 - 7 , 9 , 1 6 - 1 7 , 1 9 , 2 2 H , 8 , 1 0 - 1 3 H 2 , 1 H 3 , ( H , 2 7 , 2 8 , 2 9 ) / t 1 6 - , 1 7 + , 1 9 - , 2 2 - , 2 4 - / m 0 / s 1 |
| InChIKey |
Y E Y Z Q N S V G V D Y O U - M J F I P Z R T 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
|
