| Collection |
D4 : TTD |
| Chemical Name |
de-O-sulfonated kotalanol ( From PubChem : D E - O - S U L F O N A T E D K O T A L A N O L ) |
| 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 |
| 380.84 g/mol |
9 |
9 |
-8.4982 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 2 H 2 5 O 9 S . C l H / c 1 3 - 1 - 5 ( 1 5 ) 1 0 ( 1 9 ) 1 2 ( 2 1 ) 1 1 ( 2 0 ) 7 ( 1 7 ) 4 - 2 2 - 3 - 6 ( 1 6 ) 9 ( 1 8 ) 8 ( 2 2 ) 2 - 1 4 ; / h 5 - 2 1 H , 1 - 4 H 2 ; 1 H / q + 1 ; / p - 1 / t 5 - , 6 + , 7 + , 8 + , 9 - , 1 0 + , 1 1 + , 1 2 + , 2 2 ? ; / m 0 . / s 1 |
| InChIKey |
R C I V Z P J Z N I F S O Z - R D Z A T Y D K S A - M
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | MGAM | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
