| Collection |
D4 : TTD |
| Chemical Name |
SC-55634 ( From PubChem : C H E M B L 9 5 9 9 ) |
| 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 |
| 485.624 g/mol |
1 |
7 |
5.28 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 3 5 N 7 O / c 1 - 4 - 5 - 1 1 - 2 2 - 1 8 - 3 5 ( 2 6 - 1 9 ( 2 ) 9 - 8 - 1 0 - 2 0 ( 2 6 ) 3 ) 2 8 ( 3 6 ) 3 4 ( 2 2 ) 1 7 - 2 1 - 1 4 - 1 5 - 2 5 ( 2 9 - 1 6 - 2 1 ) 2 3 - 1 2 - 6 - 7 - 1 3 - 2 4 ( 2 3 ) 2 7 - 3 0 - 3 2 - 3 3 - 3 1 - 2 7 / h 6 - 7 , 1 2 - 1 6 , 1 8 - 2 0 , 2 6 H , 4 - 5 , 8 - 1 1 , 1 7 H 2 , 1 - 3 H 3 , ( H , 3 0 , 3 1 , 3 2 , 3 3 ) / t 1 9 - , 2 0 + , 2 6 - |
| InChIKey |
G B X Q W P C V Q A H R B S - Z J Z Z Y Z H Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | AGTR2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
