| Collection |
D4 : TTD |
| Chemical Name |
Nectamazin C ( From PubChem : N E C T A M A Z I N C ) |
| 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 |
| 420.496 g/mol |
2 |
7 |
2.454 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 3 2 O 7 / c 1 - 8 - 9 - 1 4 - 1 2 - 2 2 ( 2 9 - 6 ) 1 3 ( 2 ) 1 8 ( 2 3 ( 3 0 - 7 , 2 0 ( 1 4 ) 2 4 ) 2 1 ( 2 2 ) 2 5 ) 1 5 - 1 0 - 1 6 ( 2 6 - 3 ) 1 9 ( 2 8 - 5 ) 1 7 ( 1 1 - 1 5 ) 2 7 - 4 / h 8 , 1 0 - 1 3 , 1 8 , 2 0 - 2 1 , 2 4 - 2 5 H , 1 , 9 H 2 , 2 - 7 H 3 / t 1 3 - , 1 8 + , 2 0 - , 2 1 - , 2 2 + , 2 3 - / m 0 / s 1 |
| InChIKey |
O H V T X D B R S O S K K O - B H I P V S G S S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PTGS2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
