| Collection |
D4 : TTD |
| Chemical Name |
N(pyridin-3-ylmethyl) estradiol-16-carboxamide ( From PubChem : S U R E C N 1 2 3 7 9 4 8 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 |
| 406.517 g/mol |
3 |
5 |
3.9376 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 0 N 2 O 3 / c 1 - 2 5 - 9 - 8 - 1 9 - 1 8 - 7 - 5 - 1 7 ( 2 8 ) 1 1 - 1 6 ( 1 8 ) 4 - 6 - 2 0 ( 1 9 ) 2 2 ( 2 5 ) 1 2 - 2 1 ( 2 3 ( 2 5 ) 2 9 ) 2 4 ( 3 0 ) 2 7 - 1 4 - 1 5 - 3 - 2 - 1 0 - 2 6 - 1 3 - 1 5 / h 2 - 3 , 5 , 7 , 1 0 - 1 1 , 1 3 , 1 9 - 2 3 , 2 8 - 2 9 H , 4 , 6 , 8 - 9 , 1 2 , 1 4 H 2 , 1 H 3 , ( H , 2 7 , 3 0 ) / t 1 9 - , 2 0 + , 2 1 - , 2 2 - , 2 3 + , 2 5 + / m 1 / s 1 |
| InChIKey |
J L D A J R I T W U S Q M E - G Z P P S H F P 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
|
