| Collection |
D4 : TTD |
| Chemical Name |
(-)-SNAP-5399;SNAP-5399 ( From PubChem : C H E M B L 1 8 0 9 3 2 ) |
| 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 |
| 666.809 g/mol |
4 |
8 |
6.8302 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 8 H 4 6 N 6 O 5 / c 1 - 2 - 3 1 - 3 4 ( 3 6 ( 4 0 ) 4 5 ) 3 3 ( 2 7 - 1 4 - 1 6 - 3 0 ( 1 7 - 1 5 - 2 7 ) 4 4 ( 4 7 ) 4 8 ) 3 5 ( 3 2 ( 4 2 - 3 1 ) 2 6 - 4 9 - 2 5 - 2 0 - 3 9 ) 3 7 ( 4 6 ) 4 1 - 2 1 - 9 - 2 2 - 4 3 - 2 3 - 1 8 - 3 8 ( 1 9 - 2 4 - 4 3 , 2 8 - 1 0 - 5 - 3 - 6 - 1 1 - 2 8 ) 2 9 - 1 2 - 7 - 4 - 8 - 1 3 - 2 9 / h 3 - 8 , 1 0 - 1 7 , 3 3 , 4 2 H , 2 , 9 , 1 8 - 2 6 , 3 9 H 2 , 1 H 3 , ( H 2 , 4 0 , 4 5 ) ( H , 4 1 , 4 6 ) / t 3 3 - / m 0 / s 1 |
| InChIKey |
F L M J Q B H J N D E D J H - X I F F E E R X 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
|
