| Collection |
D4 : TTD |
| Chemical Name |
AP-21967 ( From PubChem : C H E M B L 5 2 5 0 4 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 |
| 1017.34 g/mol |
6 |
13 |
8.2606 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 9 H 8 8 N 2 O 1 2 / c 1 - 3 4 - 1 7 - 1 2 - 1 1 - 1 3 - 1 8 - 3 5 ( 2 ) 4 5 ( 4 6 - 3 3 - 6 0 - 5 2 - 3 6 ( 3 ) 1 9 - 1 6 - 2 0 - 4 4 ( 4 6 ) 5 2 ) 3 1 - 4 3 - 2 4 - 2 2 - 4 1 ( 8 ) 5 9 ( 6 9 , 7 3 - 4 3 ) 5 6 ( 6 6 ) 5 7 ( 6 7 ) 6 1 - 2 6 - 1 5 - 1 4 - 2 1 - 4 7 ( 6 1 ) 5 8 ( 6 8 ) 7 2 - 5 0 ( 3 8 ( 5 ) 2 9 - 4 2 - 2 3 - 2 5 - 4 8 ( 6 2 ) 5 1 ( 3 0 - 4 2 ) 7 0 - 9 ) 3 2 - 4 9 ( 6 3 ) 3 7 ( 4 ) 2 8 - 4 0 ( 7 ) 5 4 ( 6 5 ) 5 5 ( 7 1 - 1 0 ) 5 3 ( 6 4 ) 3 9 ( 6 ) 2 7 - 3 4 / h 1 1 - 1 3 , 1 6 - 2 0 , 2 8 , 3 3 - 3 4 , 3 7 - 3 9 , 4 1 - 4 3 , 4 5 , 4 7 - 5 1 , 5 3 - 5 5 , 6 0 , 6 2 - 6 5 , 6 9 H , 1 4 - 1 5 , 2 1 - 2 7 , 2 9 - 3 2 H 2 , 1 - 1 0 H 3 / b 1 3 - 1 1 - , 1 7 - 1 2 - , 3 5 - 1 8 - , 4 0 - 2 8 - / t 3 4 - , 3 7 - , 3 8 - , 3 9 - , 4 1 - , 4 2 + , 4 3 ? , 4 5 ? , 4 7 ? , 4 8 - , 4 9 + , 5 0 ? , 5 1 - , 5 3 + , 5 4 - , 5 5 + , 5 9 - / m 1 / s 1 |
| InChIKey |
P S L N M A U X U J L N B W - C Y X A K Y G M S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | MTOR | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
