| Collection |
D4 : TTD |
| Chemical Name |
VCP-28 ( From PubChem : C H E M B L 3 9 9 7 7 4 ) |
| 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 |
| 421.471 g/mol |
4 |
11 |
0.0852 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 9 N 6 O 5 / c 1 - 1 8 ( 2 ) 5 - 1 0 ( 1 9 ( 3 , 4 ) 2 5 ( 1 8 ) 2 9 ) 6 - 2 0 - 1 5 - 1 2 - 1 6 ( 2 2 - 8 - 2 1 - 1 5 ) 2 4 ( 9 - 2 3 - 1 2 ) 1 7 - 1 4 ( 2 8 ) 1 3 ( 2 7 ) 1 1 ( 7 - 2 6 ) 3 0 - 1 7 / h 8 - 1 1 , 1 3 - 1 4 , 1 7 , 2 6 - 2 8 H , 5 - 7 H 2 , 1 - 4 H 3 , ( H , 2 0 , 2 1 , 2 2 ) / t 1 0 ? , 1 1 - , 1 3 - , 1 4 - , 1 7 - / m 1 / s 1 |
| InChIKey |
Q F F V F N D F H J H E H U - Q I F O K D C A S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ADORA1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
