| Collection |
D4 : TTD |
| Chemical Name |
HO-LVA ( From PubChem : C H E M B L 3 9 4 6 0 2 ) |
| 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 |
| 1127.25 g/mol |
14 |
28 |
2.7531 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 3 H 7 4 N 1 6 O 1 2 / c 1 - 6 8 ( 4 4 ( 7 4 ) 2 7 - 3 2 - 1 3 - 1 7 - 3 5 ( 7 1 ) 1 8 - 1 4 - 3 2 ) 4 1 ( 2 6 - 3 1 - 1 1 - 1 5 - 3 4 ( 7 0 ) 1 6 - 1 2 - 3 1 ) 5 0 ( 8 0 ) 6 7 - 3 9 ( 2 5 - 3 0 - 7 - 3 - 2 - 4 - 8 - 3 0 ) 4 8 ( 7 8 ) 6 4 - 3 7 ( 1 9 - 2 0 - 4 2 ( 5 4 ) 7 2 ) 4 7 ( 7 7 ) 6 6 - 4 0 ( 2 8 - 4 3 ( 5 5 ) 7 3 ) 4 9 ( 7 9 ) 6 5 - 3 8 ( 1 0 - 6 - 2 3 - 6 2 - 5 3 ( 5 9 ) 6 0 ) 5 1 ( 8 1 ) 6 9 - 2 4 - 2 1 - 3 3 ( 2 9 - 6 9 ) 4 6 ( 7 6 ) 6 3 - 3 6 ( 4 5 ( 5 6 ) 7 5 ) 9 - 5 - 2 2 - 6 1 - 5 2 ( 5 7 ) 5 8 / h 2 - 4 , 7 - 8 , 1 1 - 1 8 , 3 3 , 3 6 - 4 1 , 7 0 - 7 1 H , 5 - 6 , 9 - 1 0 , 1 9 - 2 9 H 2 , 1 H 3 , ( H 2 , 5 4 , 7 2 ) ( H 2 , 5 5 , 7 3 ) ( H 2 , 5 6 , 7 5 ) ( H , 6 3 , 7 6 ) ( H , 6 4 , 7 8 ) ( H , 6 5 , 7 9 ) ( H , 6 6 , 7 7 ) ( H , 6 7 , 8 0 ) ( H 4 , 5 7 , 5 8 , 6 1 ) ( H 4 , 5 9 , 6 0 , 6 2 ) / t 3 3 - , 3 6 - , 3 7 - , 3 8 - , 3 9 - , 4 0 - , 4 1 + / m 0 / s 1 |
| InChIKey |
Q S W Y U U W O W A F P R H - P D Q N O I B Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | AVPR1A | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
