| Collection |
D4 : TTD |
| Chemical Name |
SSR240600 ( From PubChem : S S R 2 4 0 6 0 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 |
| 682.524 g/mol |
1 |
6 |
7.5175 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 3 5 C l 2 F 6 N 3 O 3 / c 1 - 2 8 ( 2 , 2 7 ( 4 0 ) 4 4 ) 2 0 - 5 - 8 - 4 1 ( 9 - 6 - 2 0 ) 1 0 - 7 - 2 9 ( 2 1 - 3 - 4 - 2 4 ( 3 2 ) 2 5 ( 3 3 ) 1 7 - 2 1 ) 1 8 - 4 2 ( 1 1 - 1 2 - 4 5 - 2 9 ) 2 6 ( 4 3 ) 1 5 - 1 9 - 1 3 - 2 2 ( 3 0 ( 3 4 , 3 5 ) 3 6 ) 1 6 - 2 3 ( 1 4 - 1 9 ) 3 1 ( 3 7 , 3 8 ) 3 9 / h 3 - 4 , 1 3 - 1 4 , 1 6 - 1 7 , 2 0 H , 5 - 1 2 , 1 5 , 1 8 H 2 , 1 - 2 H 3 , ( H 2 , 4 0 , 4 4 ) / t 2 9 - / m 1 / s 1 |
| InChIKey |
Z L N Y U C X X S D D I F U - G D L Z Y M K V S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | TACR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
