| Collection |
D4 : TTD |
| Chemical Name |
CCDC 710249, HCl salt ( From PubChem : C H E M B L 4 7 1 2 4 3 ) |
| 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 |
| 406.903 g/mol |
4 |
6 |
2.6936 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 6 N 2 O 4 . C l H / c 2 2 - 1 9 ( 2 6 ) 1 5 - 4 - 3 - 1 3 - 9 - 1 6 - 2 1 ( 2 7 ) 6 - 5 - 1 4 ( 2 4 ) 1 0 - 2 0 ( 2 1 , 1 7 ( 1 3 ) 1 8 ( 1 5 ) 2 5 ) 7 - 8 - 2 3 ( 1 6 ) 1 1 - 1 2 - 1 - 2 - 1 2 ; / h 3 - 4 , 1 2 , 1 6 , 2 5 , 2 7 H , 1 - 2 , 5 - 1 1 H 2 , ( H 2 , 2 2 , 2 6 ) ; 1 H / t 1 6 ? , 2 0 - , 2 1 - ; / m 1 . / s 1 |
| InChIKey |
L R M K V A A B E F F I D K - X P P U W I F X S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | OPRK1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
