| Collection |
D4 : TTD |
| Chemical Name |
[Sar1,Tdf3]AngII ( From PubChem : C H E M B L 1 0 7 6 6 0 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 |
| 1158.23 g/mol |
12 |
24 |
3.8163 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 5 H 7 0 F 3 N 1 5 O 1 0 / c 1 - 4 - 3 1 ( 2 ) 4 5 ( 5 0 ( 8 0 ) 6 8 - 4 1 ( 2 7 - 3 6 - 2 8 - 6 2 - 3 0 - 6 4 - 3 6 ) 5 1 ( 8 1 ) 7 3 - 2 3 - 9 - 1 3 - 4 3 ( 7 3 ) 4 9 ( 7 9 ) 6 9 - 4 2 ( 5 2 ( 8 2 ) 8 3 ) 2 6 - 3 2 - 1 0 - 6 - 5 - 7 - 1 1 - 3 2 ) 7 0 - 4 8 ( 7 8 ) 4 0 ( 2 5 - 3 4 - 1 6 - 2 0 - 3 7 ( 7 4 ) 2 1 - 1 7 - 3 4 ) 6 7 - 4 7 ( 7 7 ) 3 9 ( 2 4 - 3 3 - 1 4 - 1 8 - 3 5 ( 1 9 - 1 5 - 3 3 ) 5 4 ( 7 1 - 7 2 - 5 4 ) 5 5 ( 5 6 , 5 7 ) 5 8 ) 6 6 - 4 6 ( 7 6 ) 3 8 ( 6 5 - 4 4 ( 7 5 ) 2 9 - 6 1 - 3 ) 1 2 - 8 - 2 2 - 6 3 - 5 3 ( 5 9 ) 6 0 / h 5 - 7 , 1 0 - 1 1 , 1 4 - 2 1 , 2 8 , 3 0 - 3 1 , 3 8 - 4 3 , 4 5 , 6 1 , 7 4 H , 4 , 8 - 9 , 1 2 - 1 3 , 2 2 - 2 7 , 2 9 H 2 , 1 - 3 H 3 , ( H , 6 2 , 6 4 ) ( H , 6 5 , 7 5 ) ( H , 6 6 , 7 6 ) ( H , 6 7 , 7 7 ) ( H , 6 8 , 8 0 ) ( H , 6 9 , 7 9 ) ( H , 7 0 , 7 8 ) ( H , 8 2 , 8 3 ) ( H 4 , 5 9 , 6 0 , 6 3 ) / t 3 1 - , 3 8 - , 3 9 - , 4 0 - , 4 1 - , 4 2 - , 4 3 - , 4 5 - / m 0 / s 1 |
| InChIKey |
S M L I E F K C E B M V H X - Y U D J O F G F 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
|
