| Collection |
D4 : TTD |
| Chemical Name |
MK-852 ( From PubChem : C H E M B L 3 3 1 5 5 9 ) |
| 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 |
| 869.985 g/mol |
10 |
24 |
0.1311 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 4 7 N 9 O 1 2 S 3 / c 1 - 1 6 ( 4 4 ) 3 8 - 2 2 - 1 3 - 5 7 - 5 8 - 1 4 - 2 3 ( 3 3 ( 5 4 ) 5 5 ) 4 2 - 2 9 ( 5 0 ) 2 0 ( 1 0 - 2 6 ( 4 7 ) 4 8 ) 3 9 - 2 5 ( 4 6 ) 1 2 - 3 7 - 2 8 ( 4 9 ) 1 9 ( 8 - 1 7 - 4 - 6 - 1 8 ( 1 1 - 3 5 ) 7 - 5 - 1 7 ) 4 0 - 3 1 ( 5 2 ) 2 7 - 3 4 ( 2 , 3 ) 5 6 - 1 5 - 4 3 ( 2 7 ) 3 2 ( 5 3 ) 2 1 ( 9 - 2 4 ( 3 6 ) 4 5 ) 4 1 - 3 0 ( 2 2 ) 5 1 / h 4 - 7 , 1 9 - 2 3 , 2 7 H , 8 - 1 5 , 3 5 H 2 , 1 - 3 H 3 , ( H 2 , 3 6 , 4 5 ) ( H , 3 7 , 4 9 ) ( H , 3 8 , 4 4 ) ( H , 3 9 , 4 6 ) ( H , 4 0 , 5 2 ) ( H , 4 1 , 5 1 ) ( H , 4 2 , 5 0 ) ( H , 4 7 , 4 8 ) ( H , 5 4 , 5 5 ) / t 1 9 ? , 2 0 - , 2 1 - , 2 2 + , 2 3 + , 2 7 ? / m 0 / s 1 |
| InChIKey |
I H T Q U F F C U Y S O I H - Q V H G D B I M 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
|
