| Collection |
D4 : TTD |
| Chemical Name |
CR-3124 ( From PubChem : A G N - P C - 0 4 8 O M 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 |
| 551.426 g/mol |
7 |
13 |
3.5165 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 3 N 5 O . H 4 O 7 P 2 / c 1 - 2 2 ( 2 ) 1 4 - 2 6 - 1 9 - 1 2 - 1 6 ( 5 - 6 - 1 8 ( 1 9 ) 2 2 ) 2 7 - 2 1 ( 2 8 ) 1 7 - 4 - 3 - 9 - 2 4 - 2 0 ( 1 7 ) 2 5 - 1 3 - 1 5 - 7 - 1 0 - 2 3 - 1 1 - 8 - 1 5 ; 1 - 8 ( 2 , 3 ) 7 - 9 ( 4 , 5 ) 6 / h 3 - 1 2 , 2 6 H , 1 3 - 1 4 H 2 , 1 - 2 H 3 , ( H , 2 4 , 2 5 ) ( H , 2 7 , 2 8 ) ; ( H 2 , 1 , 2 , 3 ) ( H 2 , 4 , 5 , 6 ) |
| InChIKey |
D J J C D C B L O W T O J D - 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 | Antagonist | HTR3A | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
