| Collection |
D4 : TTD |
| Chemical Name |
Naltrexone semicarbazone ( From PubChem : N A L T R E X O N E S E M I C A R B A Z O N E ) |
| 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 |
| 398.456 g/mol |
4 |
8 |
2.0097 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 6 N 4 O 4 / c 2 2 - 1 9 ( 2 7 ) 2 4 - 2 3 - 1 3 - 5 - 6 - 2 1 ( 2 8 ) 1 5 - 9 - 1 2 - 3 - 4 - 1 4 ( 2 6 ) 1 7 - 1 6 ( 1 2 ) 2 0 ( 2 1 , 1 8 ( 1 3 ) 2 9 - 1 7 ) 7 - 8 - 2 5 ( 1 5 ) 1 0 - 1 1 - 1 - 2 - 1 1 / h 3 - 4 , 1 1 , 1 5 , 1 8 , 2 6 , 2 8 H , 1 - 2 , 5 - 1 0 H 2 , ( H 3 , 2 2 , 2 4 , 2 7 ) / b 2 3 - 1 3 - / t 1 5 - , 1 8 + , 2 0 + , 2 1 - / m 1 / s 1 |
| InChIKey |
U B L S C N U J V V I E Q F - A B U Q J S R Q 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
|
