| Collection |
D4 : TTD |
| Chemical Name |
N-methyl estrone-16-methyl carboxamide ( From PubChem : S U R E C N 1 2 3 7 9 5 6 2 ) |
| 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 |
| 341.444 g/mol |
2 |
4 |
3.5705 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 7 N O 3 / c 1 - 2 1 - 8 - 7 - 1 6 - 1 5 - 6 - 4 - 1 4 ( 2 3 ) 9 - 1 2 ( 1 5 ) 3 - 5 - 1 7 ( 1 6 ) 1 8 ( 2 1 ) 1 0 - 1 3 ( 2 0 ( 2 1 ) 2 5 ) 1 1 - 1 9 ( 2 4 ) 2 2 - 2 / h 4 , 6 , 9 , 1 3 , 1 6 - 1 8 , 2 3 H , 3 , 5 , 7 - 8 , 1 0 - 1 1 H 2 , 1 - 2 H 3 , ( H , 2 2 , 2 4 ) / t 1 3 - , 1 6 + , 1 7 + , 1 8 + , 2 1 - / m 0 / s 1 |
| InChIKey |
V G A X M S U T C O B B F Z - W T K V Q G E B 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
|
