| Collection |
D4 : TTD |
| Chemical Name |
KNT-5 ( From PubChem : K N T - 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 |
| 391.888 g/mol |
2 |
5 |
2.9815 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 5 N O 4 . C l H / c 1 - 2 2 ( 1 1 - 1 2 - 2 - 3 - 1 2 ) 1 6 - 1 0 - 1 3 - 4 - 5 - 1 4 ( 2 3 ) 1 8 - 1 7 ( 1 3 ) 2 0 - 8 - 9 - 2 5 - 2 1 ( 1 6 , 2 0 ) 7 - 6 - 1 5 ( 2 4 ) 1 9 ( 2 0 ) 2 6 - 1 8 ; / h 4 - 5 , 1 2 , 1 6 , 1 9 , 2 3 H , 2 - 3 , 6 - 1 1 H 2 , 1 H 3 ; 1 H / t 1 6 - , 1 9 ? , 2 0 + , 2 1 - ; / m 1 . / s 1 |
| InChIKey |
B J C C G W J R M X D E P D - N R A B H D P S S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | OPRM1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
