| Collection |
D4 : TTD |
| Chemical Name |
SPANTIDE ( From PubChem : S P A N T I D E ) |
| 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 |
| 1497.79 g/mol |
17 |
31 |
7.061 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 7 5 H 1 0 8 N 2 0 O 1 3 / c 1 - 4 2 ( 2 ) 3 5 - 5 5 ( 6 4 ( 8 0 ) 9 8 ) 8 9 - 6 7 ( 1 0 1 ) 5 6 ( 3 6 - 4 3 ( 3 ) 4 ) 9 0 - 6 9 ( 1 0 3 ) 5 9 ( 3 9 - 4 6 - 4 1 - 8 5 - 5 1 - 2 3 - 1 1 - 9 - 2 0 - 4 8 ( 4 6 ) 5 1 ) 9 3 - 6 8 ( 1 0 2 ) 5 7 ( 3 7 - 4 4 - 1 7 - 6 - 5 - 7 - 1 8 - 4 4 ) 9 1 - 7 0 ( 1 0 4 ) 5 8 ( 3 8 - 4 5 - 4 0 - 8 4 - 5 0 - 2 2 - 1 0 - 8 - 1 9 - 4 7 ( 4 5 ) 5 0 ) 9 2 - 6 6 ( 1 0 0 ) 5 2 ( 2 7 - 2 9 - 6 2 ( 7 8 ) 9 6 ) 8 6 - 6 5 ( 9 9 ) 5 3 ( 2 8 - 3 0 - 6 3 ( 7 9 ) 9 7 ) 8 7 - 7 1 ( 1 0 5 ) 6 1 - 2 6 - 1 6 - 3 4 - 9 5 ( 6 1 ) 7 4 ( 1 0 8 ) 5 4 ( 2 4 - 1 2 - 1 3 - 3 1 - 7 6 ) 8 8 - 7 2 ( 1 0 6 ) 6 0 - 2 5 - 1 5 - 3 3 - 9 4 ( 6 0 ) 7 3 ( 1 0 7 ) 4 9 ( 7 7 ) 2 1 - 1 4 - 3 2 - 8 3 - 7 5 ( 8 1 ) 8 2 / h 5 - 1 1 , 1 7 - 2 0 , 2 2 - 2 3 , 4 0 - 4 3 , 4 9 , 5 2 - 6 1 , 8 4 - 8 5 H , 1 2 - 1 6 , 2 1 , 2 4 - 3 9 , 7 6 - 7 7 H 2 , 1 - 4 H 3 , ( H 2 , 7 8 , 9 6 ) ( H 2 , 7 9 , 9 7 ) ( H 2 , 8 0 , 9 8 ) ( H , 8 6 , 9 9 ) ( H , 8 7 , 1 0 5 ) ( H , 8 8 , 1 0 6 ) ( H , 8 9 , 1 0 1 ) ( H , 9 0 , 1 0 3 ) ( H , 9 1 , 1 0 4 ) ( H , 9 2 , 1 0 0 ) ( H , 9 3 , 1 0 2 ) ( H 4 , 8 1 , 8 2 , 8 3 ) |
| InChIKey |
S A P C B H P Q L C Z C D V - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TACR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
