| Collection |
D4 : TTD |
| Chemical Name |
MOLASSAMIDE ( From PubChem : M O L A S S A M I D E ) |
| 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 |
| 963.083 g/mol |
9 |
21 |
1.5948 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 8 H 6 6 N 8 O 1 3 / c 1 - 9 - 1 4 - 3 6 ( 5 9 ) 4 9 - 2 6 ( 5 ) 4 1 ( 6 1 ) 5 3 - 3 9 ( 2 7 ( 6 ) 5 7 ) 4 4 ( 6 4 ) 5 4 - 4 0 - 2 8 ( 7 ) 6 9 - 4 8 ( 6 8 ) 3 8 ( 2 5 ( 3 ) 4 ) 5 2 - 4 3 ( 6 3 ) 3 4 ( 2 3 - 3 0 - 1 7 - 1 9 - 3 1 ( 5 8 ) 2 0 - 1 8 - 3 0 ) 5 5 ( 8 ) 4 7 ( 6 7 ) 3 5 ( 2 4 - 2 9 - 1 5 - 1 2 - 1 1 - 1 3 - 1 6 - 2 9 ) 5 6 - 3 7 ( 6 0 ) 2 2 - 2 1 - 3 3 ( 4 6 ( 5 6 ) 6 6 ) 5 1 - 4 2 ( 6 2 ) 3 2 ( 1 0 - 2 ) 5 0 - 4 5 ( 4 0 ) 6 5 / h 1 0 - 1 3 , 1 5 - 2 0 , 2 5 - 2 8 , 3 3 - 3 5 , 3 7 - 4 0 , 5 7 - 5 8 , 6 0 H , 9 , 1 4 , 2 1 - 2 4 H 2 , 1 - 8 H 3 , ( H , 4 9 , 5 9 ) ( H , 5 0 , 6 5 ) ( H , 5 1 , 6 2 ) ( H , 5 2 , 6 3 ) ( H , 5 3 , 6 1 ) ( H , 5 4 , 6 4 ) / b 3 2 - 1 0 - / t 2 6 - , 2 7 + , 2 8 + , 3 3 ? , 3 4 - , 3 5 - , 3 7 + , 3 8 - , 3 9 - , 4 0 - / m 0 / s 1 |
| InChIKey |
K X S G C A P Y M U M V S H - Q N O G N B E N S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CELA1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
