| Collection |
D4 : TTD |
| Chemical Name |
Quinapril analogue ( From PubChem : Q U I N A P R I L A N A L O G U E ) |
| 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 |
| 907.088 g/mol |
4 |
6 |
4.5798 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 2 H 7 6 N 5 O 2 P . 2 C l H / c 1 - 4 - 7 - 3 5 - 6 0 ( 3 6 - 8 - 5 - 2 , 3 7 - 9 - 6 - 3 ) 4 0 - 4 2 - 2 9 - 3 2 - 4 7 ( 3 3 - 3 0 - 4 2 ) 5 3 - 5 0 ( 5 8 ) 4 9 - 3 8 - 4 3 - 2 3 - 1 9 - 2 0 - 2 4 - 4 4 ( 4 3 ) 3 9 - 5 7 ( 4 9 ) 5 1 ( 5 9 ) 4 8 ( 3 4 - 3 1 - 4 1 - 2 1 - 1 3 - 1 0 - 1 4 - 2 2 - 4 1 ) 5 6 - 5 2 ( 5 4 - 4 5 - 2 5 - 1 5 - 1 1 - 1 6 - 2 6 - 4 5 ) 5 5 - 4 6 - 2 7 - 1 7 - 1 2 - 1 8 - 2 8 - 4 6 ; ; / h 1 0 , 1 3 - 1 4 , 1 9 - 2 4 , 2 9 - 3 0 , 3 2 - 3 3 , 4 5 - 4 6 , 4 8 - 4 9 H , 4 - 9 , 1 1 - 1 2 , 1 5 - 1 8 , 2 5 - 2 8 , 3 1 , 3 4 - 4 0 H 2 , 1 - 3 H 3 , ( H 2 - , 5 3 , 5 4 , 5 5 , 5 6 , 5 8 ) ; 2 * 1 H / t 4 8 - , 4 9 ? ; ; / m 0 . . / s 1 |
| InChIKey |
P D L X B E N I A H P V S H - F M R L Q M M W S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | BDKRB2 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
