| Collection |
D4 : TTD |
| Chemical Name |
DMP-728 ( From PubChem : U N I I - 0 B N 8 U E O 8 4 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 |
| 656.708 g/mol |
8 |
18 |
1.0196 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 6 N 8 O 7 . C H 4 O 3 S / c 1 - 3 - 1 6 - 2 4 ( 4 0 ) 3 3 ( 2 ) 1 8 ( 8 - 5 - 9 - 2 8 - 2 5 ( 2 6 ) 2 7 ) 2 3 ( 3 9 ) 3 0 - 1 3 - 1 9 ( 3 4 ) 3 1 - 1 7 ( 1 1 - 2 0 ( 3 5 ) 3 6 ) 2 2 ( 3 8 ) 2 9 - 1 2 - 1 4 - 6 - 4 - 7 - 1 5 ( 1 0 - 1 4 ) 2 1 ( 3 7 ) 3 2 - 1 6 ; 1 - 5 ( 2 , 3 ) 4 / h 4 , 6 - 7 , 1 0 , 1 6 - 1 8 H , 3 , 5 , 8 - 9 , 1 1 - 1 3 H 2 , 1 - 2 H 3 , ( H , 2 9 , 3 8 ) ( H , 3 0 , 3 9 ) ( H , 3 1 , 3 4 ) ( H , 3 2 , 3 7 ) ( H , 3 5 , 3 6 ) ( H 4 , 2 6 , 2 7 , 2 8 ) ; 1 H 3 , ( H , 2 , 3 , 4 ) / t 1 6 - , 1 7 + , 1 8 + ; / m 1 . / s 1 |
| InChIKey |
C S R W G J A I L K T Y L J - P W G A Q Z M I S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ITGB3 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
