| Collection |
D4 : TTD |
| Chemical Name |
AS-9705 ( From PubChem : C I D 4 4 1 5 4 9 1 6 ) |
| 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 |
| 449.458 g/mol |
3 |
11 |
-1.1224 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 6 H 2 3 N 5 O 2 . C 4 H 4 O 4 . H 2 O / c 1 - 3 - 2 1 - 7 - 5 - 4 - 6 - 1 1 ( 1 0 - 2 1 ) 1 7 - 1 6 ( 2 2 ) 1 2 - 8 - 1 3 - 1 4 ( 1 9 - 2 0 - 1 8 - 1 3 ) 9 - 1 5 ( 1 2 ) 2 3 - 2 ; 5 - 3 ( 6 ) 1 - 2 - 4 ( 7 ) 8 ; / h 8 - 9 , 1 1 H , 3 - 7 , 1 0 H 2 , 1 - 2 H 3 , ( H , 1 7 , 2 2 ) ( H , 1 8 , 1 9 , 2 0 ) ; 1 - 2 H , ( H , 5 , 6 ) ( H , 7 , 8 ) ; 1 H 2 / p - 2 / b ; 2 - 1 + ; |
| InChIKey |
A J L Q P D J W J I P A I B - J I T B Q S A I S A - L
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | DRD3 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
