| Collection |
D4 : TTD |
| Chemical Name |
L-162782 ( From PubChem : C H E M B L 2 8 9 6 1 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 |
| 576.749 g/mol |
1 |
8 |
8.211 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 2 H 4 0 N 4 O 4 S / c 1 - 7 - 9 - 1 6 - 4 0 - 3 2 ( 3 7 ) 3 5 - 4 1 ( 3 8 , 3 9 ) 2 8 - 1 5 - 1 2 - 2 5 ( 1 7 - 2 1 ( 3 ) 4 ) 1 9 - 2 7 ( 2 8 ) 2 6 - 1 3 - 1 0 - 2 4 ( 1 1 - 1 4 - 2 6 ) 2 0 - 3 6 - 2 9 ( 8 - 2 ) 3 4 - 3 0 - 2 2 ( 5 ) 1 8 - 2 3 ( 6 ) 3 3 - 3 1 ( 3 0 ) 3 6 / h 1 0 - 1 5 , 1 8 - 1 9 , 2 1 H , 7 - 9 , 1 6 - 1 7 , 2 0 H 2 , 1 - 6 H 3 , ( H , 3 5 , 3 7 ) |
| InChIKey |
G A B M Q I L P A P O N Q S - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | AGTR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
