| Collection |
D4 : TTD |
| Chemical Name |
Petrosaspongiolide P ( From PubChem : P E T R O S A S P O N G I O L I D E P ) |
| 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 |
| 418.566 g/mol |
2 |
5 |
4.1704 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 8 O 5 / c 1 - 2 3 ( 2 ) 9 - 5 - 1 0 - 2 5 ( 4 ) 1 8 ( 2 3 ) 8 - 1 1 - 2 4 ( 3 ) 1 6 - 1 3 - 1 7 ( 1 5 - 1 2 - 2 0 ( 2 6 ) 3 0 - 2 2 ( 1 5 ) 2 8 ) 2 9 - 2 1 ( 2 7 ) 1 4 ( 1 6 ) 6 - 7 - 1 9 ( 2 4 ) 2 5 / h 1 2 , 1 4 , 1 6 - 1 9 , 2 1 - 2 2 , 2 7 - 2 8 H , 5 - 1 1 , 1 3 H 2 , 1 - 4 H 3 / t 1 4 - , 1 6 + , 1 7 + , 1 8 - , 1 9 - , 2 1 + , 2 2 + , 2 4 - , 2 5 - / m 0 / s 1 |
| InChIKey |
K B X I J A U S P X Z G M P - Y C P U L V S A S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PLA2G1B | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
