| Collection |
D4 : TTD |
| Chemical Name |
SC-53228 ( From PubChem : S C - 5 3 2 2 8 ) |
| 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 |
| 539.66 g/mol |
2 |
8 |
5.757 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 4 1 N O 7 / c 1 - 4 - 6 - 2 3 - 2 6 ( 1 4 - 1 0 - 2 1 - 9 - 1 1 - 2 2 ( 3 9 - 2 9 ( 2 1 ) 2 3 ) 1 2 - 1 6 - 2 8 ( 3 3 ) 3 4 ) 3 7 - 1 7 - 5 - 1 8 - 3 8 - 2 7 - 1 5 - 1 3 - 2 4 ( 3 1 ( 3 5 ) 3 2 - 2 ) 3 0 ( 3 6 - 3 ) 2 5 ( 2 7 ) 1 9 - 2 0 - 7 - 8 - 2 0 / h 1 0 , 1 3 - 1 5 , 2 0 , 2 2 H , 4 - 9 , 1 1 - 1 2 , 1 6 - 1 9 H 2 , 1 - 3 H 3 , ( H , 3 2 , 3 5 ) ( H , 3 3 , 3 4 ) / t 2 2 - / m 0 / s 1 |
| InChIKey |
Y W Y U Q S G Y K D E A M J - Q F I P X V F Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | LTB4R | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
