| Collection |
D4 : TTD |
| Chemical Name |
Ac-Phe-D-Thr(PO3H2)-Pip-Nal-Gln-NH2 ( From PubChem : C H E M B L 4 3 6 7 5 9 ) |
| 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 |
| 823.828 g/mol |
8 |
18 |
3.1159 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 9 H 5 0 N 7 O 1 1 P / c 1 - 2 3 ( 5 7 - 5 8 ( 5 4 , 5 5 ) 5 6 ) 3 4 ( 4 5 - 3 7 ( 5 1 ) 3 0 ( 4 2 - 2 4 ( 2 ) 4 7 ) 2 1 - 2 5 - 1 0 - 4 - 3 - 5 - 1 1 - 2 5 ) 3 9 ( 5 3 ) 4 6 - 1 9 - 9 - 8 - 1 4 - 3 2 ( 4 6 ) 3 8 ( 5 2 ) 4 4 - 3 1 ( 3 6 ( 5 0 ) 4 3 - 2 9 ( 3 5 ( 4 1 ) 4 9 ) 1 7 - 1 8 - 3 3 ( 4 0 ) 4 8 ) 2 2 - 2 6 - 1 5 - 1 6 - 2 7 - 1 2 - 6 - 7 - 1 3 - 2 8 ( 2 7 ) 2 0 - 2 6 / h 3 - 7 , 1 0 - 1 3 , 1 5 - 1 6 , 2 0 , 2 3 , 2 9 - 3 2 , 3 4 H , 8 - 9 , 1 4 , 1 7 - 1 9 , 2 1 - 2 2 H 2 , 1 - 2 H 3 , ( H 2 , 4 0 , 4 8 ) ( H 2 , 4 1 , 4 9 ) ( H , 4 2 , 4 7 ) ( H , 4 3 , 5 0 ) ( H , 4 4 , 5 2 ) ( H , 4 5 , 5 1 ) ( H 2 , 5 4 , 5 5 , 5 6 ) / t 2 3 - , 2 9 - , 3 0 - , 3 1 - , 3 2 + , 3 4 + / m 0 / s 1 |
| InChIKey |
K Z S G J D B A W A U U M C - D H Q P F Q M D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PIN1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
