| Collection |
D4 : TTD |
| Chemical Name |
AL- 16082 ( From PubChem : C H E M B L 4 9 1 6 6 7 ) |
| 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 |
| 460.484 g/mol |
4 |
6 |
3.327 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 3 1 F 3 O 6 / c 2 4 - 2 3 ( 2 5 , 2 6 ) 1 6 - 7 - 5 - 6 - 1 5 ( 1 2 - 1 6 ) 1 0 - 1 1 - 1 7 ( 2 7 ) 1 4 - 3 2 - 2 2 - 1 8 ( 1 9 ( 2 8 ) 1 3 - 2 0 ( 2 2 ) 2 9 ) 8 - 3 - 1 - 2 - 4 - 9 - 2 1 ( 3 0 ) 3 1 / h 1 , 3 , 5 - 7 , 1 2 , 1 7 - 2 0 , 2 2 , 2 7 - 2 9 H , 2 , 4 , 8 - 1 1 , 1 3 - 1 4 H 2 , ( H , 3 0 , 3 1 ) / b 3 - 1 - / t 1 7 - , 1 8 - , 1 9 - , 2 0 + , 2 2 + / m 0 / s 1 |
| InChIKey |
X L S N J V C Y R K K O F S - Y W Z J R V K W S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PTGFR | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
