| Collection |
D4 : TTD |
| Chemical Name |
RWJ-53419 ( From PubChem : C H E M B L 4 2 1 5 4 7 ) |
| 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 |
| 488.577 g/mol |
4 |
10 |
2.5491 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 6 N 4 O 6 / c 3 0 - 2 2 ( 9 - 8 - 1 8 - 1 0 - 1 2 - 2 6 - 1 3 - 1 1 - 1 8 ) 2 9 - 1 4 - 4 - 7 - 2 0 ( 1 6 - 2 9 ) 2 3 ( 3 1 ) 2 7 - 1 5 - 2 1 ( 2 4 ( 3 2 ) 3 3 ) 2 8 - 2 5 ( 3 4 ) 3 5 - 1 7 - 1 9 - 5 - 2 - 1 - 3 - 6 - 1 9 / h 1 - 3 , 5 - 6 , 1 8 , 2 0 - 2 1 , 2 6 H , 4 , 7 - 1 7 H 2 , ( H , 2 7 , 3 1 ) ( H , 2 8 , 3 4 ) ( H , 3 2 , 3 3 ) / t 2 0 - , 2 1 + / m 1 / s 1 |
| InChIKey |
M U W W G B U X C F R N C O - R T W A W A E B 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
|
