| Collection |
D4 : TTD |
| Chemical Name |
PSB-6426 ( From PubChem : P S B - 6 4 2 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 |
| 540.46 g/mol |
5 |
13 |
0.1407 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 9 N 4 O 1 0 P / c 1 - 3 - 3 4 - 3 7 ( 3 3 , 3 5 - 4 - 2 ) 1 2 - 1 3 - 5 - 7 - 1 4 ( 8 - 6 - 1 3 ) 2 4 - 1 6 ( 2 8 ) 1 1 - 2 3 - 2 0 ( 3 1 ) 1 9 - 1 7 ( 2 9 ) 1 8 ( 3 0 ) 2 1 ( 3 6 - 1 9 ) 2 6 - 1 0 - 9 - 1 5 ( 2 7 ) 2 5 - 2 2 ( 2 6 ) 3 2 / h 5 - 1 0 , 1 7 - 1 9 , 2 1 , 2 9 - 3 0 H , 3 - 4 , 1 1 - 1 2 H 2 , 1 - 2 H 3 , ( H , 2 3 , 3 1 ) ( H , 2 4 , 2 8 ) ( H , 2 5 , 2 7 , 3 2 ) / t 1 7 - , 1 8 + , 1 9 - , 2 1 + / m 0 / s 1 |
| InChIKey |
A E V B P X D F D K B G L T - Y O U F Y P I L S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ENTPD1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
