| Collection |
D4 : TTD |
| Chemical Name |
REC2615 ( From PubChem : S U R E C N 6 4 4 4 3 8 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 |
| 532.032 g/mol |
2 |
10 |
4.4749 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 3 3 N 5 O 5 . C l H / c 1 - 1 6 ( 2 ) 1 7 - 7 - 6 - 8 - 2 0 ( 3 3 - 3 ) 2 4 ( 1 7 ) 3 6 - 1 5 - 2 3 ( 3 2 ) 3 0 - 9 - 1 1 - 3 1 ( 1 2 - 1 0 - 3 0 ) 2 6 - 2 8 - 1 9 - 1 4 - 2 2 ( 3 5 - 5 ) 2 1 ( 3 4 - 4 ) 1 3 - 1 8 ( 1 9 ) 2 5 ( 2 7 ) 2 9 - 2 6 ; / h 6 - 8 , 1 3 - 1 4 , 1 6 H , 9 - 1 2 , 1 5 H 2 , 1 - 5 H 3 , ( H 2 , 2 7 , 2 8 , 2 9 ) ; 1 H |
| InChIKey |
Y L P W N P U P M Q Z I K 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 | Antagonist | ADRA1A | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
