| Collection |
D4 : TTD |
| Chemical Name |
SNAP-94847 ( From PubChem : S N A P - 9 4 8 4 7 ) |
| 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 |
| 478.573 g/mol |
1 |
4 |
7.0505 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 3 2 F 2 N 2 O 2 / c 1 - 1 9 ( 2 ) 2 9 ( 3 4 ) 3 2 - 2 3 - 7 - 4 - 2 0 ( 3 ) 2 6 ( 1 6 - 2 3 ) 2 2 - 1 2 - 1 4 - 3 3 ( 1 5 - 1 3 - 2 2 ) 1 8 - 2 1 - 5 - 8 - 2 4 ( 9 - 6 - 2 1 ) 3 5 - 2 5 - 1 0 - 1 1 - 2 7 ( 3 0 ) 2 8 ( 3 1 ) 1 7 - 2 5 / h 4 - 1 1 , 1 6 - 1 7 , 1 9 , 2 2 H , 1 2 - 1 5 , 1 8 H 2 , 1 - 3 H 3 , ( H , 3 2 , 3 4 ) |
| InChIKey |
V M L Z F U V I K C G A T C - 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 | ADRA1A | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
