| Collection |
D4 : TTD |
| Chemical Name |
(-)-SNAP-5089 ( From PubChem : S N A P 5 0 8 9 ) |
| 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 |
| 608.727 g/mol |
2 |
6 |
6.7718 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 6 H 4 0 N 4 O 5 / c 1 - 2 5 - 3 1 ( 3 3 ( 3 2 ( 2 6 ( 2 ) 3 8 - 2 5 ) 3 5 ( 4 2 ) 4 5 - 3 ) 2 7 - 1 5 - 1 7 - 3 0 ( 1 8 - 1 6 - 2 7 ) 4 0 ( 4 3 ) 4 4 ) 3 4 ( 4 1 ) 3 7 - 2 1 - 1 0 - 2 2 - 3 9 - 2 3 - 1 9 - 3 6 ( 2 0 - 2 4 - 3 9 , 2 8 - 1 1 - 6 - 4 - 7 - 1 2 - 2 8 ) 2 9 - 1 3 - 8 - 5 - 9 - 1 4 - 2 9 / h 4 - 9 , 1 1 - 1 8 , 3 3 , 3 8 H , 1 0 , 1 9 - 2 4 H 2 , 1 - 3 H 3 , ( H , 3 7 , 4 1 ) / t 3 3 - / m 1 / s 1 |
| InChIKey |
F I I X C J G B C C C O Q Q - M G B G T M O V 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
|
