| Collection |
D4 : TTD |
| Chemical Name |
Ado-P-Ch2-P-Ps-Ado ( From PubChem : P 1 - P 2 - M E T H Y L E N E - P 3 - T H I O - D I A D E N O S I N E T R I P H O S P H A T E ) |
| 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 |
| 770.5 g/mol |
9 |
25 |
-0.5231 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 9 N 1 0 O 1 4 P 3 S / c 2 2 - 1 6 - 1 0 - 1 8 ( 2 6 - 3 - 2 4 - 1 6 ) 3 0 ( 5 - 2 8 - 1 0 ) 2 0 - 1 4 ( 3 4 ) 1 2 ( 3 2 ) 8 ( 4 3 - 2 0 ) 1 - 4 1 - 4 6 ( 3 6 , 3 7 ) 7 - 4 7 ( 3 8 , 3 9 ) 4 5 - 4 8 ( 4 0 , 4 9 ) 4 2 - 2 - 9 - 1 3 ( 3 3 ) 1 5 ( 3 5 ) 2 1 ( 4 4 - 9 ) 3 1 - 6 - 2 9 - 1 1 - 1 7 ( 2 3 ) 2 5 - 4 - 2 7 - 1 9 ( 1 1 ) 3 1 / h 3 - 6 , 8 - 9 , 1 2 - 1 5 , 2 0 - 2 1 , 3 2 - 3 5 H , 1 - 2 , 7 H 2 , ( H , 3 6 , 3 7 ) ( H , 3 8 , 3 9 ) ( H , 4 0 , 4 9 ) ( H 2 , 2 2 , 2 4 , 2 6 ) ( H 2 , 2 3 , 2 5 , 2 7 ) / t 8 - , 9 - , 1 2 - , 1 3 - , 1 4 - , 1 5 - , 2 0 - , 2 1 - , 4 8 - / m 1 / s 1 |
| InChIKey |
U J C W O S L C G X V J O D - L C H U O R C T S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | FHIT | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
