| Collection |
D4 : TTD |
| Chemical Name |
Cyclo[Ac-Cys-Ile-Tyr-Lys-Tyr-Phe] ( From PubChem : C H E M B L 3 8 0 2 8 8 ) |
| 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 |
| 933.081 g/mol |
12 |
20 |
3.7674 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 6 H 6 0 N 8 O 1 1 S / c 1 - 3 - 2 6 ( 2 ) 4 0 - 4 5 ( 6 3 ) 5 2 - 3 5 ( 2 3 - 2 9 - 1 1 - 1 7 - 3 2 ( 5 6 ) 1 8 - 1 2 - 2 9 ) 4 2 ( 6 0 ) 5 0 - 3 3 ( 6 - 4 - 5 - 2 1 - 4 7 ) 4 1 ( 5 9 ) 5 1 - 3 4 ( 2 2 - 2 8 - 9 - 1 5 - 3 1 ( 5 5 ) 1 6 - 1 0 - 2 8 ) 4 3 ( 6 1 ) 5 3 - 3 6 ( 4 6 ( 6 4 ) 6 5 ) 2 4 - 2 7 - 7 - 1 3 - 3 0 ( 1 4 - 8 - 2 7 ) 4 8 - 3 8 ( 5 7 ) 1 9 - 2 0 - 3 9 ( 5 8 ) 4 9 - 3 7 ( 2 5 - 6 6 ) 4 4 ( 6 2 ) 5 4 - 4 0 / h 7 - 1 8 , 2 6 , 3 3 - 3 7 , 4 0 , 5 5 - 5 6 , 6 6 H , 3 - 6 , 1 9 - 2 5 , 4 7 H 2 , 1 - 2 H 3 , ( H , 4 8 , 5 7 ) ( H , 4 9 , 5 8 ) ( H , 5 0 , 6 0 ) ( H , 5 1 , 5 9 ) ( H , 5 2 , 6 3 ) ( H , 5 3 , 6 1 ) ( H , 5 4 , 6 2 ) ( H , 6 4 , 6 5 ) / t 2 6 - , 3 3 - , 3 4 - , 3 5 - , 3 6 - , 3 7 - , 4 0 ? / m 0 / s 1 |
| InChIKey |
Q M R X U L Y A Q Q E M J C - F Y D L K O H D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SRC | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
