| Collection |
D4 : TTD |
| Chemical Name |
MHL cyclohexylthiosemicarbazone ( From PubChem : M H L C Y C L O H E X Y L T H I O 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 |
| 645.679 g/mol |
7 |
13 |
2.978 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 3 H 3 1 N 3 O 9 S / c 1 - 1 3 - 1 9 ( 3 7 ) 1 1 - 1 8 - 2 3 ( 2 6 ( 1 3 ) 3 8 ) 3 0 ( 4 2 ) 2 5 - 2 4 ( 2 7 ( 1 8 ) 3 9 ) 2 9 ( 4 1 ) 2 2 - 1 7 ( 3 1 ( 2 5 ) 4 5 - 2 ) 9 - 8 - 1 4 - 1 0 - 1 5 ( 2 1 ( 3 2 ( 4 3 ) 4 4 ) 2 8 ( 4 0 ) 2 0 ( 1 4 ) 2 2 ) 1 2 - 3 4 - 3 6 - 3 3 ( 4 6 ) 3 5 - 1 6 - 6 - 4 - 3 - 5 - 7 - 1 6 / h 1 0 - 1 2 , 1 6 , 3 4 , 3 7 - 3 8 , 4 0 H , 3 - 9 H 2 , 1 - 2 H 3 , ( H , 4 3 , 4 4 ) ( H 2 , 3 5 , 3 6 , 4 6 ) / b 1 5 - 1 2 + |
| InChIKey |
V J J L R J I H T U T O T H - N T C A Y C P X S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | STS | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
