| Collection |
D4 : TTD |
| Chemical Name |
BQ-123 ( From PubChem : B Q 1 2 3 ) |
| 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 |
| 610.701 g/mol |
6 |
12 |
2.0841 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 4 2 N 6 O 7 / c 1 - 1 6 ( 2 ) 1 2 - 2 1 - 2 7 ( 4 0 ) 3 3 - 2 2 ( 1 3 - 1 8 - 1 5 - 3 2 - 2 0 - 9 - 6 - 5 - 8 - 1 9 ( 1 8 ) 2 0 ) 2 8 ( 4 1 ) 3 5 - 2 3 ( 1 4 - 2 5 ( 3 8 ) 3 9 ) 3 1 ( 4 4 ) 3 7 - 1 1 - 7 - 1 0 - 2 4 ( 3 7 ) 2 9 ( 4 2 ) 3 6 - 2 6 ( 1 7 ( 3 ) 4 ) 3 0 ( 4 3 ) 3 4 - 2 1 / h 5 - 6 , 8 - 9 , 1 5 - 1 7 , 2 1 - 2 4 , 2 6 , 3 2 H , 7 , 1 0 - 1 4 H 2 , 1 - 4 H 3 , ( H , 3 3 , 4 0 ) ( H , 3 4 , 4 3 ) ( H , 3 5 , 4 1 ) ( H , 3 6 , 4 2 ) ( H , 3 8 , 3 9 ) / t 2 1 - , 2 2 + , 2 3 + , 2 4 - , 2 6 + / m 0 / s 1 |
| InChIKey |
V Y C M A A O U R F J I H D - P J N X I O H I 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
|
