| Collection |
D4 : TTD |
| Chemical Name |
FR-193262 ( From PubChem : F R - 1 9 3 2 6 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 |
| 516.563 g/mol |
0 |
6 |
5.2897 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 3 0 N 2 O 4 . N a / c 3 4 - 2 8 ( 3 5 ) 2 0 - 3 6 - 2 7 - 1 8 - 8 - 1 4 - 2 3 - 2 4 ( 2 7 ) 1 5 - 7 - 1 6 - 2 5 ( 2 3 ) 3 3 - 1 9 - 9 - 1 7 - 2 6 ( 3 3 ) 3 1 - 3 2 - 2 9 ( 2 1 - 1 0 - 3 - 1 - 4 - 1 1 - 2 1 ) 3 0 ( 3 7 - 3 1 ) 2 2 - 1 2 - 5 - 2 - 6 - 1 3 - 2 2 ; / h 1 - 6 , 8 , 1 0 - 1 4 , 1 8 , 2 5 - 2 6 H , 7 , 9 , 1 5 - 1 7 , 1 9 - 2 0 H 2 , ( H , 3 4 , 3 5 ) ; / q ; + 1 / p - 1 / t 2 5 - , 2 6 ? ; / m 1 . / s 1 |
| InChIKey |
N R X V V C O C E S T R S Y - F J G R W C O E S A - M
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PTGIR | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
