| Collection |
D4 : TTD |
| Chemical Name |
(H-261)Boc-His-Pro-Phe-His-Leu(OH)-Val-Ile-His-OH ( From PubChem : A G N - P C - 0 7 3 Q F 2 ) |
| 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 |
| 1101.3 g/mol |
12 |
22 |
4.2184 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 4 H 8 0 N 1 4 O 1 1 / c 1 - 1 0 - 3 2 ( 6 ) 4 4 ( 5 0 ( 7 4 ) 6 4 - 4 1 ( 5 2 ( 7 6 ) 7 7 ) 2 3 - 3 6 - 2 6 - 5 7 - 2 9 - 6 0 - 3 6 ) 6 7 - 4 9 ( 7 3 ) 4 3 ( 3 1 ( 4 ) 5 ) 6 6 - 4 7 ( 7 1 ) 3 7 ( 1 9 - 3 0 ( 2 ) 3 ) 6 1 - 4 6 ( 7 0 ) 3 9 ( 2 1 - 3 4 - 2 4 - 5 5 - 2 7 - 5 8 - 3 4 ) 6 2 - 4 5 ( 6 9 ) 3 8 ( 2 0 - 3 3 - 1 5 - 1 2 - 1 1 - 1 3 - 1 6 - 3 3 ) 6 3 - 4 8 ( 7 2 ) 4 2 - 1 7 - 1 4 - 1 8 - 6 8 ( 4 2 ) 5 1 ( 7 5 ) 4 0 ( 2 2 - 3 5 - 2 5 - 5 6 - 2 8 - 5 9 - 3 5 ) 6 5 - 5 3 ( 7 8 ) 7 9 - 5 4 ( 7 , 8 ) 9 / h 1 1 - 1 3 , 1 5 - 1 6 , 2 4 - 3 2 , 3 7 - 4 4 , 4 7 , 6 6 , 7 1 H , 1 0 , 1 4 , 1 7 - 2 3 H 2 , 1 - 9 H 3 , ( H , 5 5 , 5 8 ) ( H , 5 6 , 5 9 ) ( H , 5 7 , 6 0 ) ( H , 6 1 , 7 0 ) ( H , 6 2 , 6 9 ) ( H , 6 3 , 7 2 ) ( H , 6 4 , 7 4 ) ( H , 6 5 , 7 8 ) ( H , 6 7 , 7 3 ) ( H , 7 6 , 7 7 ) |
| InChIKey |
U I O X Z R L X A R O Y R L - 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 | REN | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
