| Collection |
D4 : TTD |
| Chemical Name |
LVVAPWT ( From PubChem : L V V A P W T ) |
| 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 |
| 784.942 g/mol |
9 |
16 |
2.8888 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 9 H 6 0 N 8 O 9 / c 1 - 1 9 ( 2 ) 1 6 - 2 6 ( 4 0 ) 3 3 ( 4 9 ) 4 4 - 3 1 ( 2 1 ( 5 ) 6 ) 3 7 ( 5 3 ) 4 5 - 3 0 ( 2 0 ( 3 ) 4 ) 3 6 ( 5 2 ) 4 2 - 2 2 ( 7 ) 3 8 ( 5 4 ) 4 7 - 1 5 - 1 1 - 1 4 - 2 9 ( 4 7 ) 3 5 ( 5 1 ) 4 3 - 2 8 ( 3 4 ( 5 0 ) 4 6 - 3 2 ( 2 3 ( 8 ) 4 8 ) 3 9 ( 5 5 ) 5 6 ) 1 7 - 2 4 - 1 8 - 4 1 - 2 7 - 1 3 - 1 0 - 9 - 1 2 - 2 5 ( 2 4 ) 2 7 / h 9 - 1 0 , 1 2 - 1 3 , 1 8 - 2 3 , 2 6 , 2 8 - 3 2 , 4 1 , 4 8 H , 1 1 , 1 4 - 1 7 , 4 0 H 2 , 1 - 8 H 3 , ( H , 4 2 , 5 2 ) ( H , 4 3 , 5 1 ) ( H , 4 4 , 4 9 ) ( H , 4 5 , 5 3 ) ( H , 4 6 , 5 0 ) ( H , 5 5 , 5 6 ) / t 2 2 - , 2 3 + , 2 6 - , 2 8 - , 2 9 - , 3 0 - , 3 1 - , 3 2 - / m 0 / s 1 |
| InChIKey |
A H E G G N D T V L E U N O - Y I H G E G N X S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | P2RX3 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
