| Collection |
D4 : TTD |
| Chemical Name |
16-(thiophen-2-yl)methylene-estrone ( From PubChem : S U R E C N 1 2 3 7 9 7 3 0 ) |
| 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 |
| 364.5 g/mol |
1 |
3 |
5.5724 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 4 O 2 S / c 1 - 2 3 - 9 - 8 - 1 9 - 1 8 - 7 - 5 - 1 6 ( 2 4 ) 1 1 - 1 4 ( 1 8 ) 4 - 6 - 2 0 ( 1 9 ) 2 1 ( 2 3 ) 1 3 - 1 5 ( 2 2 ( 2 3 ) 2 5 ) 1 2 - 1 7 - 3 - 2 - 1 0 - 2 6 - 1 7 / h 2 - 3 , 5 , 7 , 1 0 - 1 2 , 1 9 - 2 1 , 2 4 H , 4 , 6 , 8 - 9 , 1 3 H 2 , 1 H 3 / b 1 5 - 1 2 + / t 1 9 - , 2 0 + , 2 1 - , 2 3 + / m 1 / s 1 |
| InChIKey |
N T D F Y D J S L A O T R Y - V S F M Y C G F 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
|
