| Collection |
D4 : TTD |
| Chemical Name |
SHU9119 ( From PubChem : S H U 9 1 1 9 ) |
| 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 |
| 1074.24 g/mol |
12 |
24 |
3.8621 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 4 H 7 1 N 1 5 O 9 / c 1 - 3 - 4 - 1 5 - 4 0 ( 6 3 - 3 1 ( 2 ) 7 0 ) 4 8 ( 7 3 ) 6 8 - 4 5 - 2 7 - 4 6 ( 7 1 ) 5 9 - 2 1 - 1 0 - 9 - 1 7 - 4 1 ( 5 0 ( 7 5 ) 6 9 - 5 3 ( 7 8 ) 4 4 ( 6 7 - 5 2 ( 4 5 ) 7 7 ) 2 6 - 3 6 - 2 9 - 5 8 - 3 0 - 6 2 - 3 6 ) 6 5 - 5 1 ( 7 6 ) 4 3 ( 2 5 - 3 5 - 2 8 - 6 1 - 3 9 - 1 6 - 8 - 7 - 1 4 - 3 7 ( 3 5 ) 3 9 ) 6 6 - 4 9 ( 7 4 ) 4 2 ( 1 8 - 1 1 - 2 2 - 6 0 - 5 4 ( 5 6 ) 5 7 ) 6 4 - 4 7 ( 7 2 ) 3 8 ( 5 5 ) 2 4 - 3 2 - 1 9 - 2 0 - 3 3 - 1 2 - 5 - 6 - 1 3 - 3 4 ( 3 3 ) 2 3 - 3 2 / h 5 - 8 , 1 2 - 1 4 , 1 6 - 1 7 , 1 9 - 2 0 , 2 3 , 2 9 - 3 0 , 3 5 - 3 6 , 3 8 , 4 0 , 4 2 - 4 5 , 6 1 H , 3 - 4 , 9 - 1 1 , 1 5 , 1 8 , 2 1 - 2 2 , 2 4 - 2 8 , 5 5 H 2 , 1 - 2 H 3 , ( H , 5 9 , 7 1 ) ( H , 6 3 , 7 0 ) ( H , 6 4 , 7 2 ) ( H , 6 5 , 7 6 ) ( H , 6 6 , 7 4 ) ( H , 6 7 , 7 7 ) ( H , 6 8 , 7 3 ) ( H 4 , 5 6 , 5 7 , 6 0 ) ( H , 6 9 , 7 5 , 7 8 ) / b 4 1 - 1 7 + / t 3 5 ? , 3 6 ? , 3 8 - , 4 0 + , 4 2 + , 4 3 + , 4 4 + , 4 5 + / m 1 / s 1 |
| InChIKey |
O R T U T L Y E G O S C R P - A T N X L W B U S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | MC3R | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
