| Collection |
D4 : TTD |
| Chemical Name |
EM-1745 ( From PubChem : C H E M B L 3 7 1 9 4 8 ) |
| 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 |
| 677.83 g/mol |
5 |
12 |
5.1218 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 7 H 5 1 N 5 O 7 / c 1 - 3 7 - 1 5 - 1 4 - 2 5 - 2 4 - 1 3 - 1 1 - 2 3 ( 4 3 ) 1 6 - 2 1 ( 2 4 ) 1 0 - 1 2 - 2 6 ( 2 5 ) 2 7 ( 3 7 ) 1 7 - 2 2 ( 3 3 ( 3 7 ) 4 7 ) 8 - 6 - 4 - 2 - 3 - 5 - 7 - 9 - 2 9 ( 4 4 ) 4 8 - 1 8 - 2 8 - 3 1 ( 4 5 ) 3 2 ( 4 6 ) 3 6 ( 4 9 - 2 8 ) 4 2 - 2 0 - 4 1 - 3 0 - 3 4 ( 3 8 ) 3 9 - 1 9 - 4 0 - 3 5 ( 3 0 ) 4 2 / h 1 1 , 1 3 , 1 6 , 1 9 - 2 0 , 2 2 , 2 5 - 2 8 , 3 1 - 3 3 , 3 6 , 4 3 , 4 5 - 4 7 H , 2 - 1 0 , 1 2 , 1 4 - 1 5 , 1 7 - 1 8 H 2 , 1 H 3 , ( H 2 , 3 8 , 3 9 , 4 0 ) / t 2 2 - , 2 5 + , 2 6 + , 2 7 - , 2 8 + , 3 1 + , 3 2 + , 3 3 - , 3 6 + , 3 7 - / m 0 / s 1 |
| InChIKey |
C K S D Y J A S H N G O O S - K T X O U V A C 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
|
