| Collection |
D4 : TTD |
| Chemical Name |
Benzyl derivative of M6G ( From PubChem : C H E M B L 3 6 6 9 1 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 |
| 865.063 g/mol |
2 |
10 |
8.0353 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 4 H 6 0 N 2 O 8 / c 1 - 5 6 - 2 8 - 2 7 - 5 4 - 4 3 ( 4 6 ( 5 6 ) 2 9 - 4 1 - 2 3 - 2 4 - 4 2 ( 5 7 ) 3 0 - 4 4 ( 4 1 ) 5 4 ) 2 5 - 2 6 - 4 5 ( 5 3 ( 5 4 ) 5 9 - 2 ) 5 5 - 4 9 ( 5 8 ) 3 1 - 4 7 - 5 0 ( 6 1 - 3 3 - 3 8 - 1 7 - 9 - 4 - 1 0 - 1 8 - 3 8 ) 5 2 ( 6 3 - 3 5 - 4 0 - 2 1 - 1 3 - 6 - 1 4 - 2 2 - 4 0 ) 5 1 ( 6 2 - 3 4 - 3 9 - 1 9 - 1 1 - 5 - 1 2 - 2 0 - 3 9 ) 4 8 ( 6 4 - 4 7 ) 3 6 - 6 0 - 3 2 - 3 7 - 1 5 - 7 - 3 - 8 - 1 6 - 3 7 / h 3 - 2 6 , 3 0 , 4 3 , 4 5 - 4 8 , 5 0 - 5 3 , 5 7 H , 2 7 - 2 9 , 3 1 - 3 6 H 2 , 1 - 2 H 3 , ( H , 5 5 , 5 8 ) / t 4 3 ? , 4 5 - , 4 6 ? , 4 7 ? , 4 8 ? , 5 0 ? , 5 1 ? , 5 2 ? , 5 3 ? , 5 4 + / m 1 / s 1 |
| InChIKey |
A K E F S Y M T V V Z M K O - M A T X R N I G S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | OPRK1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
