| Collection |
D4 : TTD |
| Chemical Name |
IC980033 ( From PubChem : D N C 0 0 0 7 6 8 ) |
| 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 |
| 541.661 g/mol |
5 |
13 |
1.4875 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 3 2 N 2 O 5 . C 6 H 1 4 N 4 O 2 / c 1 - 4 - 8 - 1 4 ( 1 9 ( 2 5 ) 2 6 - 5 - 2 ) 2 0 - 1 2 ( 3 ) 1 7 ( 2 2 ) 2 1 - 1 5 - 1 0 - 7 - 6 - 9 - 1 3 ( 1 5 ) 1 1 - 1 6 ( 2 1 ) 1 8 ( 2 3 ) 2 4 ; 7 - 4 ( 5 ( 1 1 ) 1 2 ) 2 - 1 - 3 - 1 0 - 6 ( 8 ) 9 / h 1 2 - 1 6 , 2 0 H , 4 - 1 1 H 2 , 1 - 3 H 3 , ( H , 2 3 , 2 4 ) ; 4 H , 1 - 3 , 7 H 2 , ( H , 1 1 , 1 2 ) ( H 4 , 8 , 9 , 1 0 ) / p - 1 / t 1 2 - , 1 3 ? , 1 4 - , 1 5 ? , 1 6 - ; 4 - / m 0 0 / s 1 |
| InChIKey |
R Y C S J J X K E W B U T I - M E Z V D B L Z S A - M
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PIK3CD | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
