| Collection |
D4 : TTD |
| Chemical Name |
CVT-6694 ( From PubChem : C V T - 6 6 9 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 |
| 452.854 g/mol |
2 |
9 |
2.4381 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 1 7 C l N 8 O 3 / c 1 - 2 - 7 - 2 9 - 1 9 ( 3 0 ) 1 5 - 1 7 ( 2 6 - 2 0 ( 2 9 ) 3 1 ) 2 5 - 1 6 ( 2 4 - 1 5 ) 1 2 - 8 - 2 2 - 2 8 ( 9 - 1 2 ) 1 0 - 1 4 - 2 3 - 1 8 ( 3 2 - 2 7 - 1 4 ) 1 1 - 3 - 5 - 1 3 ( 2 1 ) 6 - 4 - 1 1 / h 3 - 6 , 8 - 9 H , 2 , 7 , 1 0 H 2 , 1 H 3 , ( H , 2 4 , 2 5 ) ( H , 2 6 , 3 1 ) |
| InChIKey |
H W H L L T U J I S Z F D N - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ADORA2B | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
