| Collection |
D4 : TTD |
| Chemical Name |
Y-40613 ( From PubChem : C H E M B L 2 8 1 1 2 4 ) |
| 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 |
| 569.54 g/mol |
2 |
11 |
4.1419 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 2 4 F N 5 O 6 / c 1 - 4 1 - 3 0 ( 4 0 ) 1 9 - 9 - 1 2 - 2 4 - 2 2 ( 1 4 - 1 9 ) 3 5 - 2 8 ( 4 2 - 2 4 ) 2 6 ( 3 8 ) 2 3 ( 1 3 - 1 7 - 5 - 3 - 2 - 4 - 6 - 1 7 ) 3 4 - 2 5 ( 3 7 ) 1 6 - 3 6 - 2 7 ( 3 3 - 1 5 - 2 1 ( 3 2 ) 2 9 ( 3 6 ) 3 9 ) 1 8 - 7 - 1 0 - 2 0 ( 3 1 ) 1 1 - 8 - 1 8 / h 2 - 1 2 , 1 4 - 1 5 , 2 3 H , 1 3 , 1 6 , 3 2 H 2 , 1 H 3 , ( H , 3 4 , 3 7 ) / t 2 3 - / m 0 / s 1 |
| InChIKey |
Y G R S M P V C B H O Y M S - Q H C P K H F H S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CMA1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
