| Collection |
D4 : TTD |
| Chemical Name |
ICARIIN ( From PubChem : I C A R I I N ) |
| 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 |
| 676.662 g/mol |
8 |
15 |
0.0679 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 3 H 4 0 O 1 5 / c 1 - 1 3 ( 2 ) 5 - 1 0 - 1 7 - 1 9 ( 4 5 - 3 3 - 2 8 ( 4 2 ) 2 6 ( 4 0 ) 2 3 ( 3 7 ) 2 0 ( 1 2 - 3 4 ) 4 6 - 3 3 ) 1 1 - 1 8 ( 3 5 ) 2 1 - 2 4 ( 3 8 ) 3 1 ( 4 8 - 3 2 - 2 7 ( 4 1 ) 2 5 ( 3 9 ) 2 2 ( 3 6 ) 1 4 ( 3 ) 4 4 - 3 2 ) 2 9 ( 4 7 - 3 0 ( 1 7 ) 2 1 ) 1 5 - 6 - 8 - 1 6 ( 4 3 - 4 ) 9 - 7 - 1 5 / h 5 - 9 , 1 1 , 1 4 , 2 0 , 2 2 - 2 3 , 2 5 - 2 8 , 3 2 - 3 7 , 3 9 - 4 2 H , 1 0 , 1 2 H 2 , 1 - 4 H 3 / t 1 4 - , 2 0 + , 2 2 - , 2 3 + , 2 5 + , 2 6 - , 2 7 + , 2 8 + , 3 2 - , 3 3 + / m 0 / s 1 |
| InChIKey |
T Z J A L U I V H R Y Q Q B - X L R X W W T N S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PDE5A | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
