| Collection |
D4 : TTD |
| Chemical Name |
AP-227 ( From PubChem : C H E M B L 2 6 8 4 7 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 |
| 471.587 g/mol |
1 |
5 |
6.6073 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 3 3 N O 4 / c 1 - 2 - 1 0 - 2 6 ( 3 1 - 3 5 - 3 0 ( 2 3 - 1 1 - 5 - 3 - 6 - 1 2 - 2 3 ) 2 4 - 1 3 - 7 - 4 - 8 - 1 4 - 2 4 ) 2 0 - 2 2 - 1 7 - 1 8 - 2 7 - 2 5 ( 1 9 - 2 2 ) 1 5 - 9 - 1 6 - 2 8 ( 2 7 ) 3 4 - 2 1 - 2 9 ( 3 2 ) 3 3 / h 3 - 9 , 1 1 - 1 6 , 2 2 , 3 0 H , 2 , 1 0 , 1 7 - 2 1 H 2 , 1 H 3 , ( H , 3 2 , 3 3 ) / b 3 1 - 2 6 + / t 2 2 - / m 0 / s 1 |
| InChIKey |
X N R B B S J Y E R P M M B - M B N J S R N Q S A - N
|
| 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
|
