| Collection |
D4 : TTD |
| Chemical Name |
H-RYYRIK-NH2 ( From PubChem : C H E M B L 4 4 4 1 1 0 ) |
| 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 |
| 881.079 g/mol |
13 |
21 |
4.5529 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 2 H 6 8 N 1 4 O 7 / c 1 - 3 - 2 5 ( 2 ) 3 4 ( 4 0 ( 6 3 ) 5 2 - 3 0 ( 3 5 ( 4 5 ) 5 8 ) 1 4 - 7 - 8 - 2 0 - 4 3 ) 5 6 - 3 7 ( 6 0 ) 3 1 ( 1 5 - 1 0 - 2 2 - 5 1 - 4 2 ( 4 8 ) 4 9 ) 5 3 - 3 8 ( 6 1 ) 3 3 ( 2 4 - 2 7 - 1 6 - 1 8 - 2 8 ( 5 7 ) 1 9 - 1 7 - 2 7 ) 5 5 - 3 9 ( 6 2 ) 3 2 ( 2 3 - 2 6 - 1 1 - 5 - 4 - 6 - 1 2 - 2 6 ) 5 4 - 3 6 ( 5 9 ) 2 9 ( 4 4 ) 1 3 - 9 - 2 1 - 5 0 - 4 1 ( 4 6 ) 4 7 / h 4 - 6 , 1 1 - 1 2 , 1 6 - 1 9 , 2 5 , 2 9 - 3 4 , 5 7 H , 3 , 7 - 1 0 , 1 3 - 1 5 , 2 0 - 2 4 , 4 3 - 4 4 H 2 , 1 - 2 H 3 , ( H 2 , 4 5 , 5 8 ) ( H , 5 2 , 6 3 ) ( H , 5 3 , 6 1 ) ( H , 5 4 , 5 9 ) ( H , 5 5 , 6 2 ) ( H , 5 6 , 6 0 ) ( H 4 , 4 6 , 4 7 , 5 0 ) ( H 4 , 4 8 , 4 9 , 5 1 ) / t 2 5 - , 2 9 - , 3 0 - , 3 1 - , 3 2 - , 3 3 - , 3 4 - / m 0 / s 1 |
| InChIKey |
N J U U H B Q L R Q T W G G - Q Q U O X U D E S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | OPRL1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
