| Collection |
D4 : TTD |
| Chemical Name |
RU85053 ( From PubChem : R U 8 5 0 5 3 ) |
| 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 |
| 585.647 g/mol |
4 |
10 |
4.1433 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 3 H 3 5 N 3 O 7 / c 1 - 2 1 ( 3 7 ) 3 4 - 2 9 ( 1 8 - 2 3 - 1 2 - 1 5 - 2 6 ( 1 9 - 3 0 ( 3 8 ) 3 9 ) 2 7 ( 1 7 - 2 3 ) 3 3 ( 4 2 ) 4 3 ) 3 1 ( 4 0 ) 3 5 - 2 8 - 9 - 5 - 6 - 1 6 - 3 6 ( 3 2 ( 2 8 ) 4 1 ) 2 0 - 2 2 - 1 0 - 1 3 - 2 5 ( 1 4 - 1 1 - 2 2 ) 2 4 - 7 - 3 - 2 - 4 - 8 - 2 4 / h 2 - 4 , 7 - 8 , 1 0 - 1 5 , 1 7 , 2 8 - 2 9 H , 5 - 6 , 9 , 1 6 , 1 8 - 2 0 H 2 , 1 H 3 , ( H , 3 4 , 3 7 ) ( H , 3 5 , 4 0 ) ( H , 3 8 , 3 9 ) ( H , 4 2 , 4 3 ) / t 2 8 - , 2 9 - / m 0 / s 1 |
| InChIKey |
C E K L B Q M U L V L L T D - V M P R E F P W S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SRC | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
