| Collection |
D4 : TTD |
| Chemical Name |
N-ethyl estrone-16-methyl carboxamide ( From PubChem : S U R E C N 1 2 3 7 9 5 5 7 ) |
| 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 |
| 355.471 g/mol |
2 |
4 |
3.9606 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 9 N O 3 / c 1 - 3 - 2 3 - 2 0 ( 2 5 ) 1 2 - 1 4 - 1 1 - 1 9 - 1 8 - 6 - 4 - 1 3 - 1 0 - 1 5 ( 2 4 ) 5 - 7 - 1 6 ( 1 3 ) 1 7 ( 1 8 ) 8 - 9 - 2 2 ( 1 9 , 2 ) 2 1 ( 1 4 ) 2 6 / h 5 , 7 , 1 0 , 1 4 , 1 7 - 1 9 , 2 4 H , 3 - 4 , 6 , 8 - 9 , 1 1 - 1 2 H 2 , 1 - 2 H 3 , ( H , 2 3 , 2 5 ) / t 1 4 - , 1 7 + , 1 8 - , 1 9 + , 2 2 - / m 0 / s 1 |
| InChIKey |
D G C N L E J T G G X F L E - D H O H V A I U 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
|
