| Collection |
D4 : TTD |
| Chemical Name |
8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H- ( From PubChem : 8 - B E N Z O [ 1 , 3 ] D I O X O L - , 5 - Y L M E T H Y L - 9 - B U T Y L - 9 H - ) |
| 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 |
| 325.365 g/mol |
1 |
7 |
3.1093 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 7 H 1 9 N 5 O 2 / c 1 - 2 - 3 - 6 - 2 2 - 1 4 ( 2 1 - 1 5 - 1 6 ( 1 8 ) 1 9 - 9 - 2 0 - 1 7 ( 1 5 ) 2 2 ) 8 - 1 1 - 4 - 5 - 1 2 - 1 3 ( 7 - 1 1 ) 2 4 - 1 0 - 2 3 - 1 2 / h 4 - 5 , 7 , 9 H , 2 - 3 , 6 , 8 , 1 0 H 2 , 1 H 3 , ( H 2 , 1 8 , 1 9 , 2 0 ) |
| InChIKey |
J C D X X N I R W R R G B X - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | HSP90AA1 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
