| Collection |
D4 : TTD |
| Chemical Name |
9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine ( From PubChem : 9 - B U T Y L - 8 - ( 3 - M E T H O X Y B E N Z Y L ) - 9 H - P U R I N - 6 - A M I 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 |
| 311.382 g/mol |
1 |
6 |
3.3892 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 7 H 2 1 N 5 O / c 1 - 3 - 4 - 8 - 2 2 - 1 4 ( 1 0 - 1 2 - 6 - 5 - 7 - 1 3 ( 9 - 1 2 ) 2 3 - 2 ) 2 1 - 1 5 - 1 6 ( 1 8 ) 1 9 - 1 1 - 2 0 - 1 7 ( 1 5 ) 2 2 / h 5 - 7 , 9 , 1 1 H , 3 - 4 , 8 , 1 0 H 2 , 1 - 2 H 3 , ( H 2 , 1 8 , 1 9 , 2 0 ) |
| InChIKey |
B W L W U G B H O X I U B P - 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
|
