| Collection |
D4 : TTD |
| Chemical Name |
16-(pyridin-3-yl)methyl-estradiol ( From PubChem : 1 6 - ( P Y R I D I N - 3 - Y L ) M E T H Y L - E S T R A D I O L ) |
| 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 |
| 363.493 g/mol |
2 |
3 |
4.473 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 9 N O 2 / c 1 - 2 4 - 9 - 8 - 2 0 - 1 9 - 7 - 5 - 1 8 ( 2 6 ) 1 2 - 1 6 ( 1 9 ) 4 - 6 - 2 1 ( 2 0 ) 2 2 ( 2 4 ) 1 3 - 1 7 ( 2 3 ( 2 4 ) 2 7 ) 1 1 - 1 5 - 3 - 2 - 1 0 - 2 5 - 1 4 - 1 5 / h 2 - 3 , 5 , 7 , 1 0 , 1 2 , 1 4 , 1 7 , 2 0 - 2 3 , 2 6 - 2 7 H , 4 , 6 , 8 - 9 , 1 1 , 1 3 H 2 , 1 H 3 / t 1 7 - , 2 0 - , 2 1 + , 2 2 - , 2 3 - , 2 4 - / m 0 / s 1 |
| InChIKey |
Q L Y A K I L K A N O L B C - D X U C W R A D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | HSD17B1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
