| Collection |
D4 : TTD |
| Chemical Name |
CLAVARINONE ( From PubChem : C L A V A R I N O N 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 |
| 474.716 g/mol |
3 |
4 |
5.8237 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 5 0 O 4 / c 1 - 1 8 ( 9 - 1 2 - 2 4 ( 3 2 ) 2 7 ( 4 , 5 ) 3 4 ) 1 9 - 1 3 - 1 5 - 3 0 ( 8 ) 2 1 - 1 0 - 1 1 - 2 3 - 2 6 ( 2 , 3 ) 2 5 ( 3 3 ) 2 2 ( 3 1 ) 1 7 - 2 8 ( 2 3 , 6 ) 2 0 ( 2 1 ) 1 4 - 1 6 - 2 9 ( 1 9 , 3 0 ) 7 / h 1 8 - 1 9 , 2 2 - 2 4 , 3 1 - 3 2 , 3 4 H , 9 - 1 7 H 2 , 1 - 8 H 3 / t 1 8 - , 1 9 - , 2 2 - , 2 3 + , 2 4 + , 2 8 - , 2 9 - , 3 0 + / m 1 / s 1 |
| InChIKey |
T Z X H H X S E U P Q H D R - V J N Z G T B K S A - N
|
| Links |
|
Gene
(3 /
4)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CH17-360D5.1 | | | Discontinued target | | TTD | Inhibitor | FNTA | | | Discontinued target | | TTD | Inhibitor | FNTB | | | Research target | | TTD | Inhibitor | FNTB | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
