| Collection |
D4 : TTD |
| Chemical Name |
N(furan-2-ylmethyl)-estrone-16-methyl carboxamide ( From PubChem : S U R E C N 1 2 3 7 9 5 2 1 ) |
| 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 |
| 407.502 g/mol |
2 |
5 |
4.7339 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 2 9 N O 4 / c 1 - 2 5 - 9 - 8 - 2 0 - 1 9 - 7 - 5 - 1 7 ( 2 7 ) 1 1 - 1 5 ( 1 9 ) 4 - 6 - 2 1 ( 2 0 ) 2 2 ( 2 5 ) 1 2 - 1 6 ( 2 4 ( 2 5 ) 2 9 ) 1 3 - 2 3 ( 2 8 ) 2 6 - 1 4 - 1 8 - 3 - 2 - 1 0 - 3 0 - 1 8 / h 2 - 3 , 5 , 7 , 1 0 - 1 1 , 1 6 , 2 0 - 2 2 , 2 7 H , 4 , 6 , 8 - 9 , 1 2 - 1 4 H 2 , 1 H 3 , ( H , 2 6 , 2 8 ) / t 1 6 - , 2 0 + , 2 1 - , 2 2 + , 2 5 - / m 0 / s 1 |
| InChIKey |
N S H K X W H Q U T U X R S - O Z C P B B F R 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
|
