| Collection |
D4 : TTD |
| Chemical Name |
DU-176b ( From PubChem : E D O X A B A N T O S Y L A T E M O N O H Y D R 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 |
| 738.274 g/mol |
5 |
16 |
4.3405 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 3 0 C l N 7 O 4 S . C 7 H 8 O 3 S . H 2 O / c 1 - 3 1 ( 2 ) 2 4 ( 3 6 ) 1 3 - 4 - 6 - 1 5 ( 2 7 - 2 0 ( 3 3 ) 2 1 ( 3 4 ) 3 0 - 1 9 - 7 - 5 - 1 4 ( 2 5 ) 1 1 - 2 6 - 1 9 ) 1 7 ( 1 0 - 1 3 ) 2 8 - 2 2 ( 3 5 ) 2 3 - 2 9 - 1 6 - 8 - 9 - 3 2 ( 3 ) 1 2 - 1 8 ( 1 6 ) 3 7 - 2 3 ; 1 - 6 - 2 - 4 - 7 ( 5 - 3 - 6 ) 1 1 ( 8 , 9 ) 1 0 ; / h 5 , 7 , 1 1 , 1 3 , 1 5 , 1 7 H , 4 , 6 , 8 - 1 0 , 1 2 H 2 , 1 - 3 H 3 , ( H , 2 7 , 3 3 ) ( H , 2 8 , 3 5 ) ( H , 2 6 , 3 0 , 3 4 ) ; 2 - 5 H , 1 H 3 , ( H , 8 , 9 , 1 0 ) ; 1 H 2 / t 1 3 - , 1 5 - , 1 7 + ; ; / m 0 . . / s 1 |
| InChIKey |
P S M M N J N Z V Z Z N O I - S J I L X J H I S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Drug(s) | F10 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
