| Collection |
D4 : TTD |
| Chemical Name |
PTR-3046 ( From PubChem : P T R - 3 0 4 6 ) |
| 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 |
| 1100.31 g/mol |
12 |
20 |
4.9868 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 9 H 7 7 N 1 1 O 1 0 / c 1 - 3 6 ( 2 ) 5 1 - 5 9 ( 8 0 ) 7 0 ( 4 9 ( 3 3 - 3 9 - 1 7 - 8 - 5 - 9 - 1 8 - 3 9 ) 5 8 ( 7 9 ) 6 9 - 5 2 ( 3 7 ( 3 ) 7 1 ) 5 3 ( 6 1 ) 7 4 ) 3 0 - 1 4 - 2 2 - 5 0 ( 7 3 ) 6 3 - 2 9 - 2 8 - 6 2 - 4 6 ( 3 1 - 3 8 - 1 5 - 6 - 4 - 7 - 1 6 - 3 8 ) 5 5 ( 7 6 ) 6 6 - 4 7 ( 3 2 - 4 0 - 2 3 - 2 5 - 4 2 ( 7 2 ) 2 6 - 2 4 - 4 0 ) 5 6 ( 7 7 ) 6 7 - 4 8 ( 3 4 - 4 1 - 3 5 - 6 4 - 4 4 - 2 0 - 1 1 - 1 0 - 1 9 - 4 3 ( 4 1 ) 4 4 ) 5 7 ( 7 8 ) 6 5 - 4 5 ( 5 4 ( 7 5 ) 6 8 - 5 1 ) 2 1 - 1 2 - 1 3 - 2 7 - 6 0 / h 4 - 1 1 , 1 5 - 2 0 , 2 3 - 2 6 , 3 5 - 3 7 , 4 5 - 4 9 , 5 1 - 5 2 , 6 2 , 6 4 , 7 1 - 7 2 H , 1 2 - 1 4 , 2 1 - 2 2 , 2 7 - 3 4 , 6 0 H 2 , 1 - 3 H 3 , ( H 2 , 6 1 , 7 4 ) ( H , 6 3 , 7 3 ) ( H , 6 5 , 7 8 ) ( H , 6 6 , 7 6 ) ( H , 6 7 , 7 7 ) ( H , 6 8 , 7 5 ) ( H , 6 9 , 7 9 ) / t 3 7 - , 4 5 + , 4 6 + , 4 7 + , 4 8 - , 4 9 + , 5 1 + , 5 2 + / m 1 / s 1 |
| InChIKey |
L R U H W P F U O B Q I R Y - O H M Z A N S P S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SSTR5 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
