| Collection |
D4 : TTD |
| Chemical Name |
A-348441 ( From PubChem : A - 3 4 8 4 4 1 ) |
| 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 |
| 850.176 g/mol |
4 |
8 |
9.2633 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 4 H 7 5 N O 7 / c 1 - 7 - 2 2 - 5 4 ( 6 1 ) 2 4 - 2 1 - 4 3 - 4 0 - 1 5 - 1 1 - 3 4 - 2 7 - 3 7 ( 5 6 ) 1 4 - 1 6 - 3 9 ( 3 4 ) 4 9 ( 4 0 ) 4 1 ( 3 1 - 5 2 ( 4 3 , 5 4 ) 4 ) 3 3 - 9 - 1 2 - 3 6 ( 1 3 - 1 0 - 3 3 ) 5 5 ( 6 ) 2 5 - 2 6 - 6 2 - 3 8 - 2 0 - 2 3 - 5 1 ( 3 ) 3 5 ( 2 8 - 3 8 ) 2 9 - 4 6 ( 5 7 ) 5 0 - 4 4 - 1 8 - 1 7 - 4 2 ( 3 2 ( 2 ) 8 - 1 9 - 4 8 ( 5 9 ) 6 0 ) 5 3 ( 4 4 , 5 ) 4 7 ( 5 8 ) 3 0 - 4 5 ( 5 0 ) 5 1 / h 9 - 1 0 , 1 2 - 1 3 , 2 7 , 3 2 , 3 5 , 3 8 , 4 0 - 4 7 , 5 0 , 5 7 - 5 8 , 6 1 H , 8 , 1 1 , 1 4 - 2 1 , 2 3 - 2 6 , 2 8 - 3 1 H 2 , 1 - 6 H 3 , ( H , 5 9 , 6 0 ) / t 3 2 - , 3 5 ? , 3 8 + , 4 0 ? , 4 1 - , 4 2 ? , 4 3 ? , 4 4 ? , 4 5 ? , 4 6 - , 4 7 + , 5 0 ? , 5 1 + , 5 2 + , 5 3 - , 5 4 + / m 1 / s 1 |
| InChIKey |
L E U W E C P X L B I B O F - A J N A F T L P S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | NR3C1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
