| Collection |
D4 : TTD |
| Chemical Name |
L-739758 ( From PubChem : C H E M B L 7 8 7 6 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 |
| 522.661 g/mol |
4 |
11 |
4.6429 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 6 N 4 O 5 S 3 / c 2 7 - 2 0 ( 2 5 - 1 3 - 1 8 ( 2 1 ( 2 8 ) 2 9 ) 2 6 - 3 4 ( 3 0 , 3 1 ) 1 7 - 2 - 1 - 7 - 2 4 - 1 2 - 1 7 ) 1 9 - 1 1 - 1 5 - 1 0 - 1 6 ( 3 2 - 2 2 ( 1 5 ) 3 3 - 1 9 ) 4 - 3 - 1 4 - 5 - 8 - 2 3 - 9 - 6 - 1 4 / h 1 - 2 , 7 , 1 0 - 1 2 , 1 4 , 1 8 , 2 3 , 2 6 H , 3 - 6 , 8 - 9 , 1 3 H 2 , ( H , 2 5 , 2 7 ) ( H , 2 8 , 2 9 ) / t 1 8 - / m 0 / s 1 |
| InChIKey |
Q D I F C B M B P L L N G R - S F H V U R J K 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
|
