| Collection |
D4 : TTD |
| Chemical Name |
Ro-43-5054 ( From PubChem : C H E M B L 1 1 7 7 7 5 ) |
| 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 |
| 449.458 g/mol |
7 |
12 |
1.2482 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 2 7 N 5 O 7 / c 1 - 1 0 ( 2 ) 1 6 ( 2 0 ( 3 1 ) 3 2 ) 2 5 - 1 9 ( 3 0 ) 1 3 ( 9 - 1 5 ( 2 7 ) 2 8 ) 2 4 - 1 4 ( 2 6 ) 7 - 8 - 2 3 - 1 8 ( 2 9 ) 1 2 - 5 - 3 - 1 1 ( 4 - 6 - 1 2 ) 1 7 ( 2 1 ) 2 2 / h 3 - 6 , 1 0 , 1 3 , 1 6 H , 7 - 9 H 2 , 1 - 2 H 3 , ( H 3 , 2 1 , 2 2 ) ( H , 2 3 , 2 9 ) ( H , 2 4 , 2 6 ) ( H , 2 5 , 3 0 ) ( H , 2 7 , 2 8 ) ( H , 3 1 , 3 2 ) / t 1 3 - , 1 6 - / m 0 / s 1 |
| InChIKey |
R R U J J O M A N F U D E N - B B R M V Z O N 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
|
