| Collection |
D4 : TTD |
| Chemical Name |
ABT-229 ( From PubChem : A L E M C I N A L ) |
| 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 |
| 697.939 g/mol |
2 |
11 |
5.1967 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 8 H 6 7 N O 1 0 / c 1 - 1 4 - 2 8 - 2 3 ( 6 ) 3 0 ( 4 0 ) 2 4 ( 7 ) 3 2 - 2 0 ( 3 ) 1 7 - 3 8 ( 1 1 , 4 9 - 3 2 ) 3 4 ( 4 8 - 3 6 - 3 1 ( 4 1 ) 2 7 ( 3 9 ( 1 2 ) 1 5 - 2 ) 1 6 - 2 1 ( 4 ) 4 5 - 3 6 ) 2 5 ( 8 ) 3 3 ( 2 6 ( 9 ) 3 5 ( 4 2 ) 4 6 - 2 8 ) 4 7 - 2 9 - 1 9 - 3 7 ( 1 0 , 4 3 - 1 3 ) 1 8 - 2 2 ( 5 ) 4 4 - 2 9 / h 2 1 - 3 1 , 3 3 - 3 4 , 3 6 , 4 0 - 4 1 H , 1 4 - 1 9 H 2 , 1 - 1 3 H 3 / t 2 1 - , 2 2 + , 2 3 + , 2 4 - , 2 5 + , 2 6 - , 2 7 + , 2 8 - , 2 9 + , 3 0 + , 3 1 - , 3 3 + , 3 4 - , 3 6 + , 3 7 + , 3 8 - / m 1 / s 1 |
| InChIKey |
I W T S X J N G T T X M F K - K T Q U S E M Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | KCNH2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
