| Collection |
D4 : TTD |
| Chemical Name |
16-(4-dimethylamino-benzylidene)-estradiol ( From PubChem : S U R E C N 1 2 3 7 9 3 7 3 ) |
| 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 |
| 403.556 g/mol |
2 |
3 |
5.3687 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 3 3 N O 2 / c 1 - 2 7 - 1 3 - 1 2 - 2 3 - 2 2 - 1 1 - 9 - 2 1 ( 2 9 ) 1 5 - 1 8 ( 2 2 ) 6 - 1 0 - 2 4 ( 2 3 ) 2 5 ( 2 7 ) 1 6 - 1 9 ( 2 6 ( 2 7 ) 3 0 ) 1 4 - 1 7 - 4 - 7 - 2 0 ( 8 - 5 - 1 7 ) 2 8 ( 2 ) 3 / h 4 - 5 , 7 - 9 , 1 1 , 1 4 - 1 5 , 2 3 - 2 6 , 2 9 - 3 0 H , 6 , 1 0 , 1 2 - 1 3 , 1 6 H 2 , 1 - 3 H 3 / b 1 9 - 1 4 + / t 2 3 - , 2 4 + , 2 5 + , 2 6 - , 2 7 - / m 0 / s 1 |
| InChIKey |
H U Z D S T Z Y T X B R M O - G O X D U A P N 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
|
