| Collection |
D4 : TTD |
| Chemical Name |
macrocyclic tripeptide motif ( From PubChem : M A C R O C Y C L I C T R I P E P T I D E M O T I F ) |
| 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 |
| 731.798 g/mol |
8 |
17 |
1.7266 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 6 H 4 5 N 9 O 8 / c 3 7 - 3 6 ( 3 8 ) 3 9 - 1 6 - 4 - 8 - 2 6 - 3 1 ( 4 9 ) 3 4 ( 5 2 ) 4 4 - 2 7 ( 1 9 - 2 2 - 6 - 2 - 1 - 3 - 7 - 2 2 ) 3 2 ( 5 0 ) 4 2 - 2 4 ( 1 8 - 2 3 - 1 0 - 1 3 - 2 5 ( 4 7 ) 1 4 - 1 1 - 2 3 ) 1 2 - 1 5 - 3 0 ( 4 8 ) 4 0 - 2 0 - 2 8 ( 4 1 - 2 1 - 4 6 ) 3 5 ( 5 3 ) 4 5 - 1 7 - 5 - 9 - 2 9 ( 4 5 ) 3 3 ( 5 1 ) 4 3 - 2 6 / h 1 - 3 , 6 - 7 , 1 0 - 1 5 , 2 1 , 2 4 , 2 6 - 2 9 , 4 7 H , 4 - 5 , 8 - 9 , 1 6 - 2 0 H 2 , ( H , 4 0 , 4 8 ) ( H , 4 1 , 4 6 ) ( H , 4 2 , 5 0 ) ( H , 4 3 , 5 1 ) ( H , 4 4 , 5 2 ) ( H 4 , 3 7 , 3 8 , 3 9 ) / b 1 5 - 1 2 - / t 2 4 - , 2 6 + , 2 7 - , 2 8 + , 2 9 ? / m 0 / s 1 |
| InChIKey |
C D W X S P K J K I U E Q F - N E K U V Y B Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | F2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
