| Collection |
D4 : TTD |
| Chemical Name |
SB-208651 ( From PubChem : C H E M B L 8 5 0 9 4 ) |
| 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 |
| 499.561 g/mol |
4 |
9 |
3.9633 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 2 9 N 5 O 4 / c 1 - 3 2 ( 2 2 - 1 1 - 9 - 1 9 ( 1 0 - 1 2 - 2 2 ) 2 6 ( 2 9 ) 3 0 ) 2 7 ( 3 6 ) 2 0 - 7 - 8 - 2 1 - 1 7 - 3 3 ( 1 4 - 1 3 - 1 8 - 5 - 3 - 2 - 4 - 6 - 1 8 ) 2 8 ( 3 7 ) 2 4 ( 1 6 - 2 5 ( 3 4 ) 3 5 ) 3 1 - 2 3 ( 2 1 ) 1 5 - 2 0 / h 2 - 1 2 , 1 5 , 2 4 , 3 1 H , 1 3 - 1 4 , 1 6 - 1 7 H 2 , 1 H 3 , ( H 3 , 2 9 , 3 0 ) ( H , 3 4 , 3 5 ) / t 2 4 - / m 0 / s 1 |
| InChIKey |
W C Z A I W W F R S M L C O - D E O S S O P V 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
|
