| Collection |
D4 : TTD |
| Chemical Name |
BRL 26830A ( From PubChem : B R L 2 6 8 3 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 |
| 427.49 g/mol |
3 |
7 |
3.3345 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 3 N O 3 . C 5 H 6 O 3 / c 1 - 1 4 ( 2 0 - 1 3 - 1 8 ( 2 1 ) 1 6 - 6 - 4 - 3 - 5 - 7 - 1 6 ) 1 2 - 1 5 - 8 - 1 0 - 1 7 ( 1 1 - 9 - 1 5 ) 1 9 ( 2 2 ) 2 3 - 2 ; 1 - 4 ( 6 ) 2 - 3 - 5 ( 7 ) 8 / h 3 - 1 1 , 1 4 , 1 8 , 2 0 - 2 1 H , 1 2 - 1 3 H 2 , 1 - 2 H 3 ; 2 - 3 H , 1 H 3 , ( H , 7 , 8 ) / b ; 3 - 2 + / t 1 4 - , 1 8 + ; / m 0 . / s 1 |
| InChIKey |
O I Z I S C U U S L P U E N - L M O R P Y A A S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Agonist | ADRB3 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
