| Collection |
D4 : TTD |
| Chemical Name |
A-641359 ( From PubChem : C H E M B L 3 8 1 2 0 3 ) |
| 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 |
| 580.68 g/mol |
2 |
11 |
5.2361 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 2 H 3 6 N 8 O 3 / c 1 - 3 8 - 2 5 - 6 - 4 - 3 - 5 - 2 0 ( 2 5 ) 1 7 - 2 6 ( 3 8 ) 3 2 ( 4 1 ) 3 6 - 2 4 - 8 - 7 - 2 1 ( 1 8 - 2 7 ( 2 4 ) 4 2 - 2 ) 2 9 - 2 8 - 3 0 ( 3 3 ) 3 4 - 1 9 - 3 5 - 3 1 ( 2 8 ) 4 0 ( 3 7 - 2 9 ) 2 3 - 9 - 1 3 - 3 9 ( 1 4 - 1 0 - 2 3 ) 2 2 - 1 1 - 1 5 - 4 3 - 1 6 - 1 2 - 2 2 / h 3 - 8 , 1 7 - 1 9 , 2 2 - 2 3 H , 9 - 1 6 H 2 , 1 - 2 H 3 , ( H , 3 6 , 4 1 ) ( H 2 , 3 3 , 3 4 , 3 5 ) |
| InChIKey |
C M F P S T W Y L O D P N E - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | LCK | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
