| Collection |
D4 : TTD |
| Chemical Name |
L-702-539 ( From PubChem : C H E M B L 9 7 3 8 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 |
| 453.486 g/mol |
1 |
6 |
5.27338 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 2 3 N O 5 / c 2 9 - 1 4 - 1 9 - 8 - 2 1 - 1 1 - 2 3 ( 4 - 5 - 2 5 ( 2 1 ) 2 6 ( 1 0 - 1 9 ) 2 0 - 6 - 7 - 3 1 - 1 6 - 2 0 ) 3 2 - 1 5 - 1 8 - 2 - 1 - 3 - 2 2 ( 9 - 1 8 ) 2 8 ( 3 0 ) 1 2 - 2 4 - 1 7 - 3 3 - 2 7 ( 1 3 - 2 8 ) 3 4 - 2 4 / h 1 - 1 1 , 1 6 , 2 4 , 2 7 , 3 0 H , 1 2 - 1 3 , 1 5 , 1 7 H 2 / t 2 4 - , 2 7 + , 2 8 - / m 0 / s 1 |
| InChIKey |
C H L J R X I F R P I L D X - V C T R F X N D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ALOX5 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
