| Collection |
D4 : TTD |
| Chemical Name |
AC-(D)PHE-PRO-BOROHOMOLYS-OH ( From PubChem : A C - ( D ) P H E - P R O - B O R O H O M O L Y S - O H ) |
| 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 |
| 446.348 g/mol |
5 |
9 |
1.5806 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 3 5 B N 4 O 5 / c 1 - 1 6 ( 2 8 ) 2 5 - 1 8 ( 1 5 - 1 7 - 9 - 4 - 2 - 5 - 1 0 - 1 7 ) 2 2 ( 3 0 ) 2 7 - 1 4 - 8 - 1 1 - 1 9 ( 2 7 ) 2 1 ( 2 9 ) 2 6 - 2 0 ( 2 3 ( 3 1 ) 3 2 ) 1 2 - 6 - 3 - 7 - 1 3 - 2 4 / h 2 , 4 - 5 , 9 - 1 0 , 1 8 - 2 0 , 3 1 - 3 2 H , 3 , 6 - 8 , 1 1 - 1 5 , 2 4 H 2 , 1 H 3 , ( H , 2 5 , 2 8 ) ( H , 2 6 , 2 9 ) / t 1 8 - , 1 9 + , 2 0 + / m 1 / s 1 |
| InChIKey |
A I L S W I B F G Y Y Z T K - A A B G K K O B 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
|
