| Collection |
D4 : TTD |
| Chemical Name |
TBC 11251 (TBC) ( From PubChem : T B C 1 1 2 5 1 ( T B C ) ) |
| 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 |
| 441.52 g/mol |
2 |
8 |
3.2308 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 2 7 N 3 O . C 4 H 4 O 4 / c 1 - 3 - 2 4 - 1 9 - 1 0 - 7 - 1 3 - 2 1 - 2 0 ( 1 9 ) 2 2 ( 2 ) 1 8 - 1 1 - 1 4 - 2 3 ( 1 5 - 1 2 - 1 8 ) 1 6 - 1 7 - 8 - 5 - 4 - 6 - 9 - 1 7 ; 5 - 3 ( 6 ) 1 - 2 - 4 ( 7 ) 8 / h 4 - 1 0 , 1 3 , 1 8 H , 3 , 1 1 - 1 2 , 1 4 - 1 6 H 2 , 1 - 2 H 3 ; 1 - 2 H , ( H , 5 , 6 ) ( H , 7 , 8 ) / b ; 2 - 1 - |
| InChIKey |
A D A M U L B L H X H V F N - B T J K T K A U S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | EDNRA | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
