| Collection |
D4 : TTD |
| Chemical Name |
N(1'-Phenyl-ethyl) estradiol-16-carboxamide ( From PubChem : S U R E C N 1 2 3 7 9 4 9 5 ) |
| 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 |
| 419.556 g/mol |
3 |
4 |
5.1036 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 3 3 N O 3 / c 1 - 1 6 ( 1 7 - 6 - 4 - 3 - 5 - 7 - 1 7 ) 2 8 - 2 6 ( 3 1 ) 2 3 - 1 5 - 2 4 - 2 2 - 1 0 - 8 - 1 8 - 1 4 - 1 9 ( 2 9 ) 9 - 1 1 - 2 0 ( 1 8 ) 2 1 ( 2 2 ) 1 2 - 1 3 - 2 7 ( 2 4 , 2 ) 2 5 ( 2 3 ) 3 0 / h 3 - 7 , 9 , 1 1 , 1 4 , 1 6 , 2 1 - 2 5 , 2 9 - 3 0 H , 8 , 1 0 , 1 2 - 1 3 , 1 5 H 2 , 1 - 2 H 3 , ( H , 2 8 , 3 1 ) / t 1 6 - , 2 1 + , 2 2 + , 2 3 + , 2 4 + , 2 5 - , 2 7 - / m 0 / s 1 |
| InChIKey |
N L F Q Z G Z N W S X J N G - C H P U R B I T 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
|
