| Collection |
D4 : TTD |
| Chemical Name |
L-054852 ( From PubChem : A G N - P C - 0 B E O S U ) |
| 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 |
| 561.781 g/mol |
4 |
7 |
6.5398 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 2 H 4 3 N 5 O 2 S / c 1 - 2 1 ( 2 ) 3 0 ( 4 0 - 1 9 - 1 6 - 3 3 ) 3 6 - 2 9 ( 3 8 ) 2 8 ( 2 2 ( 3 ) 2 5 - 2 0 - 3 4 - 2 7 - 1 1 - 7 - 5 - 9 - 2 4 ( 2 5 ) 2 7 ) 3 5 - 3 1 ( 3 9 ) 3 7 - 1 7 - 1 4 - 3 2 ( 1 5 - 1 8 - 3 7 ) 1 3 - 1 2 - 2 3 - 8 - 4 - 6 - 1 0 - 2 6 ( 2 3 ) 3 2 / h 4 - 1 1 , 2 0 - 2 2 , 2 8 , 3 0 , 3 4 H , 1 2 - 1 9 , 3 3 H 2 , 1 - 3 H 3 , ( H , 3 5 , 3 9 ) ( H , 3 6 , 3 8 ) / t 2 2 - , 2 8 - , 3 0 + / m 0 / s 1 |
| InChIKey |
U D R S I U Y Q Z O T M R D - P K I M S I D O S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Agonist | SSTR2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
