| Collection |
D4 : TTD |
| Chemical Name |
BQ610 ( From PubChem : B Q 6 1 0 ) |
| 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 |
| 656.771 g/mol |
5 |
11 |
5.7133 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 6 H 4 4 N 6 O 6 / c 1 - 2 3 ( 2 ) 1 7 - 2 9 ( 4 0 - 3 6 ( 4 8 ) 4 1 - 1 5 - 9 - 3 - 4 - 1 0 - 1 6 - 4 1 ) 3 3 ( 4 4 ) 3 8 - 3 0 ( 1 9 - 2 5 - 2 1 - 4 2 ( 2 2 - 4 3 ) 3 2 - 1 4 - 8 - 6 - 1 2 - 2 7 ( 2 5 ) 3 2 ) 3 4 ( 4 5 ) 3 9 - 3 1 ( 3 5 ( 4 6 ) 4 7 ) 1 8 - 2 4 - 2 0 - 3 7 - 2 8 - 1 3 - 7 - 5 - 1 1 - 2 6 ( 2 4 ) 2 8 / h 5 - 8 , 1 1 - 1 4 , 2 0 - 2 3 , 2 9 - 3 1 , 3 7 H , 3 - 4 , 9 - 1 0 , 1 5 - 1 9 H 2 , 1 - 2 H 3 , ( H , 3 8 , 4 4 ) ( H , 3 9 , 4 5 ) ( H , 4 0 , 4 8 ) ( H , 4 6 , 4 7 ) / t 2 9 - , 3 0 + , 3 1 + / m 0 / s 1 |
| InChIKey |
Q H S R P P J Q B F Q W S C - O J D Z S J E K S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | EDNRA | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
