| Collection |
D4 : TTD |
| Chemical Name |
3-(6-Amino-purin-9-yl)-4-phenethyloxy-butan-2-ol ( From PubChem : 3 - ( 6 - A M I N O - P U R I N - 9 - Y L ) - 4 - P H E N E T H Y L O X Y - B U T A N - 2 - 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 |
| 327.381 g/mol |
2 |
7 |
2.1709 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 7 H 2 1 N 5 O 2 / c 1 - 1 2 ( 2 3 ) 1 4 ( 9 - 2 4 - 8 - 7 - 1 3 - 5 - 3 - 2 - 4 - 6 - 1 3 ) 2 2 - 1 1 - 2 1 - 1 5 - 1 6 ( 1 8 ) 1 9 - 1 0 - 2 0 - 1 7 ( 1 5 ) 2 2 / h 2 - 6 , 1 0 - 1 2 , 1 4 , 2 3 H , 7 - 9 H 2 , 1 H 3 , ( H 2 , 1 8 , 1 9 , 2 0 ) / t 1 2 - , 1 4 + / m 0 / s 1 |
| InChIKey |
A G L L O Y C R A O L W D Z - G X T W G E P Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ADA | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
