Gene Set: D4 : TTD - (-)-3-O-acetylspectaline
| Collection |
D4 : TTD |
| Chemical Name |
(-)-3-O-acetylspectaline ( From PubChem : ( - ) - 3 - O - A C E T Y L S P E C T A L I 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 |
| 367.566 g/mol |
1 |
4 |
5.6576 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 4 1 N O 3 / c 1 - 1 8 ( 2 4 ) 1 4 - 1 2 - 1 0 - 8 - 6 - 4 - 5 - 7 - 9 - 1 1 - 1 3 - 1 5 - 2 1 - 1 6 - 1 7 - 2 2 ( 1 9 ( 2 ) 2 3 - 2 1 ) 2 6 - 2 0 ( 3 ) 2 5 / h 1 9 , 2 1 - 2 3 H , 4 - 1 7 H 2 , 1 - 3 H 3 / t 1 9 - , 2 1 + , 2 2 - / m 1 / s 1 |
| InChIKey |
L R K W D K C S H J W J S T - B A G Y T P M A S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PTGS1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
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Tan Lab , Mail Stop 8117
12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA
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