| Collection |
D4 : TTD |
| Chemical Name |
Isosorbide-2-benzylcarbamate-5-tosylate ( From PubChem : C H E M B L 5 2 3 8 5 2 ) |
| 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 |
| 461.485 g/mol |
1 |
9 |
3.8382 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 3 N O 8 S / c 1 - 1 4 - 7 - 9 - 1 6 ( 1 0 - 8 - 1 4 ) 3 2 ( 2 6 , 2 7 ) 2 2 ( 2 5 ) 3 1 - 1 8 - 1 3 - 2 9 - 1 9 - 1 7 ( 1 2 - 2 8 - 2 0 ( 1 8 ) 1 9 ) 3 0 - 2 1 ( 2 4 ) 2 3 - 1 1 - 1 5 - 5 - 3 - 2 - 4 - 6 - 1 5 / h 2 - 1 0 , 1 7 - 2 0 H , 1 1 - 1 3 H 2 , 1 H 3 , ( H , 2 3 , 2 4 ) / t 1 7 - , 1 8 + , 1 9 + , 2 0 + / m 0 / s 1 |
| InChIKey |
R G A N I X D J V G C B K P - M T Q W C T H Y 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
|
