| Collection |
D4 : TTD |
| Chemical Name |
A-317920 ( From PubChem : C H E M B L 3 6 1 3 5 5 ) |
| 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 |
| 453.531 g/mol |
1 |
8 |
2.8706 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 1 N 3 O 5 / c 1 - 1 8 ( 2 6 - 2 4 ( 3 0 ) 2 2 - 4 - 2 - 1 6 - 3 3 - 2 2 ) 2 5 ( 3 1 ) 2 8 - 1 4 - 1 2 - 2 7 ( 1 3 - 1 5 - 2 8 ) 1 1 - 3 - 1 7 - 3 2 - 2 1 - 9 - 7 - 2 0 ( 8 - 1 0 - 2 1 ) 2 3 ( 2 9 ) 1 9 - 5 - 6 - 1 9 / h 2 , 4 , 7 - 1 0 , 1 6 , 1 8 - 1 9 H , 3 , 5 - 6 , 1 1 - 1 5 , 1 7 H 2 , 1 H 3 , ( H , 2 6 , 3 0 ) / t 1 8 - / m 1 / s 1 |
| InChIKey |
R T R A D B Q S Z J I R M T - G O S I S D B H S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | HRH3 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
