| Collection |
D4 : TTD |
| Chemical Name |
SC-50676 ( From PubChem : C H E M B L 1 6 7 4 7 4 ) |
| 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 |
| 511.607 g/mol |
2 |
8 |
4.9768 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 3 7 N O 7 / c 1 - 4 - 6 - 2 0 - 2 3 ( 1 2 - 9 - 1 9 - 1 0 - 1 3 - 2 5 ( 2 9 ( 3 2 ) 3 3 ) 3 7 - 2 6 ( 1 9 ) 2 0 ) 3 5 - 1 5 - 5 - 1 6 - 3 6 - 2 4 - 1 4 - 1 1 - 2 1 ( 2 8 ( 3 1 ) 3 0 - 2 ) 2 7 ( 3 4 - 3 ) 2 2 ( 2 4 ) 1 7 - 1 8 - 7 - 8 - 1 8 / h 9 , 1 1 - 1 2 , 1 4 , 1 8 , 2 5 H , 4 - 8 , 1 0 , 1 3 , 1 5 - 1 7 H 2 , 1 - 3 H 3 , ( H , 3 0 , 3 1 ) ( H , 3 2 , 3 3 ) / t 2 5 - / m 0 / s 1 |
| InChIKey |
S S L K T P M F Z M E R S J - V W L O T Q A D 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
|
