| Collection |
D4 : TTD |
| Chemical Name |
Exiguamine A hydrochloride ( From PubChem : C H E M B L 1 2 2 1 4 7 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 |
| 527.957 g/mol |
3 |
9 |
-1.5303 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 2 5 N 5 O 6 . C l H / c 1 - 2 8 - 2 3 ( 3 4 ) 2 5 ( 2 9 ( 2 ) 2 4 ( 2 8 ) 3 5 ) 1 8 - 1 7 ( 2 1 ( 3 3 ) 1 9 - 1 5 ( 2 0 ( 1 8 ) 3 2 ) 1 1 ( 5 - 7 - 2 6 ) 1 0 - 2 7 - 1 9 ) 1 6 - 1 2 - 6 - 8 - 3 0 ( 3 , 4 ) 1 3 ( 1 2 ) 9 - 1 4 ( 3 1 ) 2 2 ( 1 6 ) 3 6 - 2 5 ; / h 9 - 1 0 H , 5 - 8 , 2 6 H 2 , 1 - 4 H 3 , ( H - , 2 7 , 3 1 , 3 2 , 3 3 ) ; 1 H / t 2 5 - ; / m 1 . / s 1 |
| InChIKey |
V O Z F N T D I E N S X M G - V Q I W E W K S 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
|
