| Collection |
D4 : TTD |
| Chemical Name |
LVAYPWT ( From PubChem : L V A Y 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 |
| 848.984 g/mol |
10 |
17 |
3.1811 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 3 H 6 0 N 8 O 1 0 / c 1 - 2 2 ( 2 ) 1 8 - 3 0 ( 4 4 ) 3 8 ( 5 5 ) 4 9 - 3 5 ( 2 3 ( 3 ) 4 ) 4 1 ( 5 8 ) 4 6 - 2 4 ( 5 ) 3 7 ( 5 4 ) 4 8 - 3 3 ( 1 9 - 2 6 - 1 3 - 1 5 - 2 8 ( 5 3 ) 1 6 - 1 4 - 2 6 ) 4 2 ( 5 9 ) 5 1 - 1 7 - 9 - 1 2 - 3 4 ( 5 1 ) 4 0 ( 5 7 ) 4 7 - 3 2 ( 3 9 ( 5 6 ) 5 0 - 3 6 ( 2 5 ( 6 ) 5 2 ) 4 3 ( 6 0 ) 6 1 ) 2 0 - 2 7 - 2 1 - 4 5 - 3 1 - 1 1 - 8 - 7 - 1 0 - 2 9 ( 2 7 ) 3 1 / h 7 - 8 , 1 0 - 1 1 , 1 3 - 1 6 , 2 1 - 2 5 , 3 0 , 3 2 - 3 6 , 4 5 , 5 2 - 5 3 H , 9 , 1 2 , 1 7 - 2 0 , 4 4 H 2 , 1 - 6 H 3 , ( H , 4 6 , 5 8 ) ( H , 4 7 , 5 7 ) ( H , 4 8 , 5 4 ) ( H , 4 9 , 5 5 ) ( H , 5 0 , 5 6 ) ( H , 6 0 , 6 1 ) / t 2 4 - , 2 5 + , 3 0 - , 3 2 - , 3 3 - , 3 4 - , 3 5 - , 3 6 - / m 0 / s 1 |
| InChIKey |
K B S Q B K D K T B P P I E - D T S D Q Q A R 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
|
