| Collection |
D4 : TTD |
| Chemical Name |
S-5751 ( From PubChem : S - 5 7 5 1 ) |
| 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 |
| 441.583 g/mol |
3 |
6 |
5.9796 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 1 N O 4 S / c 1 - 2 5 ( 2 ) 1 6 - 1 1 - 1 5 ( 7 - 5 - 3 - 4 - 6 - 8 - 2 2 ( 2 8 ) 2 9 ) 2 3 ( 2 0 ( 2 5 ) 1 2 - 1 6 ) 2 6 - 2 4 ( 3 0 ) 1 9 - 1 4 - 3 1 - 2 1 - 1 0 - 9 - 1 7 ( 2 7 ) 1 3 - 1 8 ( 1 9 ) 2 1 / h 3 , 5 , 9 - 1 0 , 1 3 - 1 6 , 2 0 , 2 3 , 2 7 H , 4 , 6 - 8 , 1 1 - 1 2 H 2 , 1 - 2 H 3 , ( H , 2 6 , 3 0 ) ( H , 2 8 , 2 9 ) / b 5 - 3 - / t 1 5 - , 1 6 + , 2 0 + , 2 3 - / m 1 / s 1 |
| InChIKey |
Z X B H F W F K S I Y J E K - V A I A N Q Q O S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | PTGDR | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
