| Collection |
D4 : TTD |
| Chemical Name |
EXIGUAMINE B ( From PubChem : E X I G U A M I N E B ) |
| 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 |
| 543.956 g/mol |
4 |
10 |
-2.0394 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 2 5 N 5 O 7 . C l H / c 1 - 2 8 - 2 3 ( 3 5 ) 2 5 ( 2 9 ( 2 ) 2 4 ( 2 8 ) 3 6 ) 1 8 - 1 7 ( 2 1 ( 3 4 ) 1 9 - 1 4 ( 2 0 ( 1 8 ) 3 3 ) 1 0 ( 5 - 6 - 2 6 ) 8 - 2 7 - 1 9 ) 1 6 - 1 5 - 1 1 ( 7 - 1 2 ( 3 1 ) 2 2 ( 1 6 ) 3 7 - 2 5 ) 3 0 ( 3 , 4 ) 9 - 1 3 ( 1 5 ) 3 2 ; / h 7 - 8 , 1 3 , 3 2 H , 5 - 6 , 9 , 2 6 H 2 , 1 - 4 H 3 , ( H - , 2 7 , 3 1 , 3 3 , 3 4 ) ; 1 H / t 1 3 - , 2 5 - ; / m 1 . / s 1 |
| InChIKey |
S B R G F G R K J M M C L R - K T M I R O B J S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | IDO1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
