| Collection |
D4 : TTD |
| Chemical Name |
WAY-196025 ( From PubChem : C H E M B L 4 0 4 5 2 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 |
| 705.304 g/mol |
2 |
6 |
10.5565 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 2 H 4 1 C l N 2 O 4 S / c 1 - 2 9 - 1 1 - 9 - 1 2 - 3 0 ( 2 ) 3 8 ( 2 9 ) 2 8 - 5 0 ( 4 8 , 4 9 ) 4 4 - 2 6 - 2 5 - 4 0 - 3 6 ( 1 8 - 1 0 - 1 3 - 3 1 - 1 9 - 2 1 - 3 4 ( 2 2 - 2 0 - 3 1 ) 4 2 ( 4 6 ) 4 7 ) 3 7 - 2 7 - 3 5 ( 4 3 ) 2 3 - 2 4 - 3 9 ( 3 7 ) 4 5 ( 4 0 ) 4 1 ( 3 2 - 1 4 - 5 - 3 - 6 - 1 5 - 3 2 ) 3 3 - 1 6 - 7 - 4 - 8 - 1 7 - 3 3 / h 3 - 9 , 1 1 - 1 2 , 1 4 - 1 7 , 1 9 - 2 4 , 2 7 , 4 1 , 4 4 H , 1 0 , 1 3 , 1 8 , 2 5 - 2 6 , 2 8 H 2 , 1 - 2 H 3 , ( H , 4 6 , 4 7 ) |
| InChIKey |
Y O F B E F N L U Y V W R R - 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 | PLA2G4A | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
