| Collection |
D4 : TTD |
| Chemical Name |
Isosorbide-di-(benzylcarbamate) ( From PubChem : C H E M B L 6 0 0 0 1 3 ) |
| 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 |
| 412.436 g/mol |
2 |
8 |
3.1558 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 4 N 2 O 6 / c 2 5 - 2 1 ( 2 3 - 1 1 - 1 5 - 7 - 3 - 1 - 4 - 8 - 1 5 ) 2 9 - 1 7 - 1 3 - 2 7 - 2 0 - 1 8 ( 1 4 - 2 8 - 1 9 ( 1 7 ) 2 0 ) 3 0 - 2 2 ( 2 6 ) 2 4 - 1 2 - 1 6 - 9 - 5 - 2 - 6 - 1 0 - 1 6 / h 1 - 1 0 , 1 7 - 2 0 H , 1 1 - 1 4 H 2 , ( H , 2 3 , 2 5 ) ( H , 2 4 , 2 6 ) / t 1 7 - , 1 8 + , 1 9 - , 2 0 - / m 1 / s 1 |
| InChIKey |
P E R B L O U P R P L Y H U - I Y W M V G A K S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ACHE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
