| Collection |
D4 : TTD |
| Chemical Name |
BIO-1211 ( From PubChem : B I O - 1 2 1 1 ) |
| 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 |
| 708.801 g/mol |
7 |
15 |
4.1449 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 6 H 4 8 N 6 O 9 / c 1 - 2 0 ( 2 ) 1 7 - 2 6 ( 3 8 - 2 9 ( 4 3 ) 1 8 - 2 3 - 1 2 - 1 4 - 2 4 ( 1 5 - 1 3 - 2 3 ) 3 7 - 3 6 ( 5 1 ) 4 0 - 2 5 - 1 0 - 7 - 6 - 9 - 2 2 ( 2 5 ) 5 ) 3 2 ( 4 6 ) 3 9 - 2 7 ( 1 9 - 3 0 ( 4 4 ) 4 5 ) 3 3 ( 4 7 ) 4 1 - 3 1 ( 2 1 ( 3 ) 4 ) 3 4 ( 4 8 ) 4 2 - 1 6 - 8 - 1 1 - 2 8 ( 4 2 ) 3 5 ( 4 9 ) 5 0 / h 6 - 7 , 9 - 1 0 , 1 2 - 1 5 , 2 0 - 2 1 , 2 6 - 2 8 , 3 1 H , 8 , 1 1 , 1 6 - 1 9 H 2 , 1 - 5 H 3 , ( H , 3 8 , 4 3 ) ( H , 3 9 , 4 6 ) ( H , 4 1 , 4 7 ) ( H , 4 4 , 4 5 ) ( H , 4 9 , 5 0 ) ( H 2 , 3 7 , 4 0 , 5 1 ) / t 2 6 - , 2 7 - , 2 8 - , 3 1 - / m 0 / s 1 |
| InChIKey |
N V V G C Q A B I H S J S Q - K F Z S M J G V S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | ITGA4 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
