| Collection |
D4 : TTD |
| Chemical Name |
SQ-29548 ( From PubChem : S Q 2 9 5 4 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 |
| 387.473 g/mol |
4 |
7 |
4.1623 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 9 N 3 O 4 / c 2 5 - 2 0 ( 2 6 ) 1 1 - 7 - 2 - 1 - 6 - 1 0 - 1 6 - 1 7 ( 1 9 - 1 3 - 1 2 - 1 8 ( 1 6 ) 2 8 - 1 9 ) 1 4 - 2 2 - 2 4 - 2 1 ( 2 7 ) 2 3 - 1 5 - 8 - 4 - 3 - 5 - 9 - 1 5 / h 1 , 3 - 6 , 8 - 9 , 1 6 - 1 9 , 2 2 H , 2 , 7 , 1 0 - 1 4 H 2 , ( H , 2 5 , 2 6 ) ( H 2 , 2 3 , 2 4 , 2 7 ) / b 6 - 1 - / t 1 6 - , 1 7 + , 1 8 + , 1 9 - / m 1 / s 1 |
| InChIKey |
R J N D V C N W V B W H L Y - Y V U O L Y O D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TBXA2R | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
