| Collection |
D4 : TTD |
| Chemical Name |
PSB-0739 ( From PubChem : C H E M B L 4 5 5 5 3 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 |
| 609.538 g/mol |
3 |
9 |
6.2284 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 1 9 N 3 O 8 S 2 . 2 N a / c 2 7 - 2 4 - 2 1 ( 3 9 ( 3 5 , 3 6 ) 3 7 ) 1 3 - 1 9 ( 2 2 - 2 3 ( 2 4 ) 2 6 ( 3 1 ) 1 7 - 9 - 5 - 4 - 8 - 1 6 ( 1 7 ) 2 5 ( 2 2 ) 3 0 ) 2 9 - 1 5 - 1 0 - 1 1 - 1 8 ( 2 0 ( 1 2 - 1 5 ) 3 8 ( 3 2 , 3 3 ) 3 4 ) 2 8 - 1 4 - 6 - 2 - 1 - 3 - 7 - 1 4 ; ; / h 1 - 1 3 , 2 8 - 2 9 H , 2 7 H 2 , ( H , 3 2 , 3 3 , 3 4 ) ( H , 3 5 , 3 6 , 3 7 ) ; ; / q ; 2 * + 1 / p - 2 |
| InChIKey |
Q B L L Y X X X O J U N C V - U H F F F A O Y S A - L
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | P2RY12 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
