| Collection |
D4 : TTD |
| Chemical Name |
EM-1424 ( From PubChem : E M - 1 4 2 4 ) |
| 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 |
| 485.612 g/mol |
1 |
7 |
5.8277 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 3 9 N O 6 / c 1 - 2 6 ( 2 ) 1 1 - 1 2 - 2 8 ( 3 5 - 2 4 ( 2 6 ) 3 0 ) 1 0 - 8 - 2 1 - 1 9 - 6 - 5 - 1 7 - 1 5 - 2 2 ( 3 3 - 1 4 - 1 3 - 3 2 - 4 ) 2 3 ( 3 4 - 2 5 ( 2 9 ) 3 1 ) 1 6 - 2 0 ( 1 7 ) 1 8 ( 1 9 ) 7 - 9 - 2 7 ( 2 1 , 2 8 ) 3 / h 1 5 - 1 6 , 1 8 - 1 9 , 2 1 H , 5 - 1 4 H 2 , 1 - 4 H 3 , ( H 2 , 2 9 , 3 1 ) / t 1 8 - , 1 9 + , 2 1 - , 2 7 - , 2 8 + / m 0 / s 1 |
| InChIKey |
M S J R J L M A L I A V G V - R O J W S E S W S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | AKR1C3 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
