| Collection |
D4 : TTD |
| Chemical Name |
A-317491 ( From PubChem : A - 3 1 7 4 9 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 |
| 565.569 g/mol |
3 |
9 |
6.2935 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 3 H 2 7 N O 8 / c 3 5 - 3 0 ( 2 5 - 1 7 - 2 7 ( 3 2 ( 3 8 ) 3 9 ) 2 8 ( 3 3 ( 4 0 ) 4 1 ) 1 8 - 2 6 ( 2 5 ) 3 1 ( 3 6 ) 3 7 ) 3 4 ( 2 9 - 1 5 - 7 - 1 0 - 2 1 - 9 - 4 - 5 - 1 4 - 2 4 ( 2 1 ) 2 9 ) 1 9 - 2 0 - 8 - 6 - 1 3 - 2 3 ( 1 6 - 2 0 ) 4 2 - 2 2 - 1 1 - 2 - 1 - 3 - 1 2 - 2 2 / h 1 - 6 , 8 - 9 , 1 1 - 1 4 , 1 6 - 1 8 , 2 9 H , 7 , 1 0 , 1 5 , 1 9 H 2 , ( H , 3 6 , 3 7 ) ( H , 3 8 , 3 9 ) ( H , 4 0 , 4 1 ) / t 2 9 - / m 0 / s 1 |
| InChIKey |
V Q G B O Y B I E N N K M I - L J A Q V G F W S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | P2RX3 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
