| Collection |
D4 : TTD |
| Chemical Name |
SB-207043 ( From PubChem : C H E M B L 6 0 6 9 1 0 ) |
| 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 |
| 1012.25 g/mol |
8 |
23 |
5.5689 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 7 H 6 9 N 1 1 O 1 0 S 2 / c 1 - 4 4 ( 2 ) 2 1 - 2 8 ( 2 2 - 4 5 ( 3 , 4 ) 5 7 ( 4 4 ) 6 7 ) 5 2 - 3 6 ( 6 0 ) 2 6 - 6 9 - 3 3 - 1 8 - 1 2 - 1 0 - 1 5 - 3 0 ( 3 3 ) 4 1 ( 6 4 ) 5 6 ( 9 ) 3 2 ( 1 7 - 1 4 - 2 0 - 5 0 - 4 3 ( 4 8 ) 4 9 ) 3 9 ( 6 2 ) 5 1 - 2 5 - 3 5 ( 5 9 ) 5 5 - 3 8 ( 4 2 ( 6 5 ) 6 6 ) 4 0 ( 6 3 ) 5 4 - 3 1 - 1 6 - 1 1 - 1 3 - 1 9 - 3 4 ( 3 1 ) 7 0 - 2 7 - 3 7 ( 6 1 ) 5 3 - 2 9 - 2 3 - 4 6 ( 5 , 6 ) 5 8 ( 6 8 ) 4 7 ( 7 , 8 ) 2 4 - 2 9 / h 1 0 - 1 3 , 1 5 - 1 6 , 1 8 - 1 9 , 2 8 - 2 9 , 3 2 , 3 8 H , 1 4 , 1 7 , 2 0 - 2 7 H 2 , 1 - 9 H 3 , ( H , 5 1 , 6 2 ) ( H , 5 2 , 6 0 ) ( H , 5 3 , 6 1 ) ( H , 5 4 , 6 3 ) ( H , 5 5 , 5 9 ) ( H , 6 5 , 6 6 ) ( H 4 , 4 8 , 4 9 , 5 0 ) / t 3 2 - , 3 8 + / m 0 / s 1 |
| InChIKey |
G U C P T R J T G N V V H A - S C A V L V J O 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
|
